Geometry & MOs

Info

ID:	358475
PubChem CID:	127296071
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	18.63
Dipole, Da:	5.08
IP(EA), eV:	-8.9(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NCC3=CC=C(C=C3)N4C=CC=N4

DOS

IR

Vibrations