Geometry & MOs

Info

ID:	358447
PubChem CID:	127296015
Reduced:	ON4C21H30 (1)
Stoich.:	AB4C21D30 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-18.67
Dipole, Da:	4.29
IP(EA), eV:	-8.39(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NCCC3=CNC4=CC=CC=C43

DOS

IR

Vibrations