Geometry & MOs

Info

ID:	36702
PubChem CID:	8011519
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	361.142641
ΔH_f, kcal/mol:	-51.27
Dipole, Da:	6.85
IP(EA), eV:	-8.96(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-2-(2,5-dimethyl-1-prop-2-enylpyrrole-3-carbonyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN2C(=CC=N2)NC(=O)[C@H](C(C)C)NC(=O)CC3=CC=CC=C3

DOS

IR

Vibrations