Geometry & MOs

Info

ID:	130929
PubChem CID:	51130876
Reduced:	NO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	328.142307
ΔH_f, kcal/mol:	-93.4
Dipole, Da:	5.16
IP(EA), eV:	-8.74(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-2,3-dimethylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)C(=O)OC)NC(=O)C2=CC=CC=[N+]2[O-]

DOS

IR

Vibrations