Geometry & MOs

Info

ID:	362846
PubChem CID:	127309675
Reduced:	O3N4C21H32 (1)
Stoich.:	A3B4C21D32 (1)
Weight, g/mol:	360.252526
ΔH_f, kcal/mol:	-117.4
Dipole, Da:	1.4
IP(EA), eV:	-8.9(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-pyridin-4-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)NCC3CCCN3CCOC

DOS

IR

Vibrations