Geometry & MOs

Info

ID:	41436
PubChem CID:	8145874
Reduced:	O2N5C17H26 (1)
Stoich.:	A2B5C17D26 (1)
Weight, g/mol:	366.169191
ΔH_f, kcal/mol:	-43.14
Dipole, Da:	15.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756316
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[4-(4-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-3-methylbenzamide

Drug info:

PubChemData

Smile

CC[NH+](CC)CCNC1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N

DOS

IR

Vibrations