Geometry & MOs

Info

ID:	358517
PubChem CID:	127296113
Reduced:	O2N4C19H34 (1)
Stoich.:	A2B4C19D34 (1)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-120.22
Dipole, Da:	7.25
IP(EA), eV:	-8.75(1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CCC(CC1)NC(=O)N2CCCCC(C2)N3CCCC3

DOS

IR

Vibrations