Geometry & MOs

Info

ID:	363440
PubChem CID:	127311243
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	356.209993
ΔH_f, kcal/mol:	-114.46
Dipole, Da:	4.42
IP(EA), eV:	-9.24(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-6-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)C(=O)NCC(=O)NC2=CN=CC=C2)C(=O)N3CCCC3

DOS

IR

Vibrations