Geometry & MOs

Info

ID:

223793

PubChem CID:

85335576

Reduced:

N5O7C27H51 (1)

Stoich.:

A5B7C27D51 (1)

Weight, g/mol:

557.292139

ΔHf, kcal/mol:

-391.21

Dipole, Da:

3.24

IP(EA), eV:

 -9.55(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[13-chloro-9-[3-(4-methylimidazol-1-yl)propyl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl]-N-cyclohexylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O)N

DOS

IR

Vibrations