Geometry & MOs

Info

ID:	358463
PubChem CID:	127296059
Reduced:	ON2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-77.18
Dipole, Da:	4.45
IP(EA), eV:	-8.6(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=C(C=CC=N2)CNC(=O)N3CCCCC(C3)N4CCCC4

DOS

IR

Vibrations