Geometry & MOs

Info

ID:	41474
PubChem CID:	8145936
Reduced:	N2O2C11H16 (2)
Stoich.:	A2B2C11D16 (2)
Weight, g/mol:	357.124405
ΔH_f, kcal/mol:	-146.27
Dipole, Da:	2.39
IP(EA), eV:	-8.64(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[4-(5-chloro-2-methylanilino)-4-oxobutan-2-ylidene]amino]-4-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)CC[C@]1(C(=O)N(C(=O)N1)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

DOS

IR

Vibrations