Geometry & MOs

Info

ID:	169621
PubChem CID:	75127097
Reduced:	N2O3H18C21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	24.6
Dipole, Da:	4.77
IP(EA), eV:	-8.8(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoyl]-4-methylbenzohydrazide

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C=CC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations