Geometry & MOs

Info

ID:	347062
PubChem CID:	127271566
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	379.225977
ΔH_f, kcal/mol:	-134.59
Dipole, Da:	4.31
IP(EA), eV:	-9.15(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[oxolan-2-yl(phenyl)methyl]-2-pyridin-4-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CCN(CC2)C(=O)NC(C3CCCO3)C4=CC=CC=C4

DOS

IR

Vibrations