Geometry & MOs

Info

ID:	155888
PubChem CID:	56368142
Reduced:	N3O4C25H31 (1)
Stoich.:	A3B4C25D31 (1)
Weight, g/mol:	422.128943
ΔH_f, kcal/mol:	-167.66
Dipole, Da:	3.71
IP(EA), eV:	-8.81(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1CCCN(C1)C(=O)C2CCCN2C(=O)C3=C(C4=CC=CC=C4C=C3)O

DOS

IR

Vibrations