Geometry & MOs

Info

ID:	358525
PubChem CID:	127296121
Reduced:	ON6C16H28 (1)
Stoich.:	AB6C16D28 (1)
Weight, g/mol:	319.237211
ΔH_f, kcal/mol:	-13.34
Dipole, Da:	7.78
IP(EA), eV:	-8.88(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methylimidazol-1-yl)ethyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(CN1C=NC=N1)NC(=O)N2CCCCC(C2)N3CCCC3

DOS

IR

Vibrations