Geometry & MOs

Info

ID:	68544
PubChem CID:	46508615
Reduced:	N4O5C18H22 (1)
Stoich.:	A4B5C18D22 (1)
Weight, g/mol:	391.093498
ΔH_f, kcal/mol:	-162.23
Dipole, Da:	4.52
IP(EA), eV:	-8.44(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations