Geometry & MOs

Info

ID:	290756
PubChem CID:	110021486
Reduced:	NOC8H13 (2)
Stoich.:	ABC8D13 (2)
Weight, g/mol:	503.28964
ΔH_f, kcal/mol:	-99.87
Dipole, Da:	5.03
IP(EA), eV:	-9.81(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-benzyl-N-(4-imidazol-1-ylbutyl)-9-oxo-2-oxa-8,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-16-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(C)C(=O)NCC(CC1=CC=CC=N1)CO

DOS

IR

Vibrations