Geometry & MOs

Info

ID:	30411
PubChem CID:	841287
Reduced:	ClO2N3H14C15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	312.147393
ΔH_f, kcal/mol:	-30.85
Dipole, Da:	2.1
IP(EA), eV:	-8.81(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NNC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations