Geometry & MOs

Info

ID:	358443
PubChem CID:	127296011
Reduced:	ON3C14H27 (1)
Stoich.:	AB3C14D27 (1)
Weight, g/mol:	319.237211
ΔH_f, kcal/mol:	-73.75
Dipole, Da:	3.34
IP(EA), eV:	-8.52(1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-imidazol-1-ylpropan-2-yl)-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)N1CCCCC(C1)N2CCCC2

DOS

IR

Vibrations