Geometry & MOs

Info

ID:	25397
PubChem CID:	624100
Reduced:	PC20H21 (1)
Stoich.:	AB20C21 (1)
Weight, g/mol:	307.119501
ΔH_f, kcal/mol:	51.19
Dipole, Da:	2.23
IP(EA), eV:	-8.47(0.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-acetamido-4-[3-[4-(diazonioamino)phenyl]-3-oxoprop-1-enyl]benzene

Drug info:

PubChemData

Smile

CC1(C2C1P(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C)C

DOS

IR

Vibrations