Geometry & MOs

Info

ID:	40435
PubChem CID:	8144123
Reduced:	O2N3C20H21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	359.103669
ΔH_f, kcal/mol:	-3.92
Dipole, Da:	4.65
IP(EA), eV:	-8.56(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[4-(3-chloro-2-methylanilino)-4-oxobutan-2-ylidene]amino]-4-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C(=O)C2=O)CN3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations