Geometry & MOs

Info

ID:	300082
PubChem CID:	119526710
Reduced:	ClO3N4C22H27 (1)
Stoich.:	AB3C4D22E27 (1)
Weight, g/mol:	387.179421
ΔH_f, kcal/mol:	-129.44
Dipole, Da:	10.09
IP(EA), eV:	-9.23(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4,5-dimethoxy-2-nitrobenzamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(=O)NCC(C3=CC=C(C=C3)C(C)C)N)NC(=O)C1=O.Cl

DOS

IR

Vibrations