Geometry & MOs

Info

ID:	302780
PubChem CID:	124395258
Reduced:	O2N3H29C30 (1)
Stoich.:	A2B3C29D30 (1)
Weight, g/mol:	404.184841
ΔH_f, kcal/mol:	56.19
Dipole, Da:	3.65
IP(EA), eV:	-8.82(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(2-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)C)CC=C)/C=C(/C#N)\C3=NC4=C(N3)C=C(C=C4)C

DOS

IR

Vibrations