Geometry & MOs

Info

ID:	36342
PubChem CID:	8001951
Reduced:	O3N4H22C23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	391.120192
ΔH_f, kcal/mol:	-7.15
Dipole, Da:	5.21
IP(EA), eV:	-9.25(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)aniline

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=NN=C(O2)C3=CC=CC=C3)C(=O)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations