Geometry & MOs

Info

ID:	68523
PubChem CID:	46508585
Reduced:	ClN2O3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	465.187541
ΔH_f, kcal/mol:	-75.7
Dipole, Da:	4.36
IP(EA), eV:	-8.91(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCN(CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations