Geometry & MOs

Info

ID:	358485
PubChem CID:	127296081
Reduced:	N3O3C22H35 (1)
Stoich.:	A3B3C22D35 (1)
Weight, g/mol:	393.181919
ΔH_f, kcal/mol:	-111.36
Dipole, Da:	4.9
IP(EA), eV:	-8.15(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(C)NC(=O)N2CCCCC(C2)N3CCCC3)OC

DOS

IR

Vibrations