Geometry & MOs

Info

ID:	33132
PubChem CID:	7885077
Reduced:	NO2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-178.16
Dipole, Da:	3.0
IP(EA), eV:	-9.53(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)NC(C)C)C

DOS

IR

Vibrations