Geometry & MOs

Info

ID:	216998
PubChem CID:	85087097
Reduced:	O4N5C14H21 (1)
Stoich.:	A4B5C14D21 (1)
Weight, g/mol:	323.163377
ΔH_f, kcal/mol:	-111.19
Dipole, Da:	4.86
IP(EA), eV:	-9.65(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylanilino)-N-[(3-methylphenyl)carbamoyl]but-2-enamide

Drug info:

PubChemData

Smile

CC(C)CNC1=NC(=O)C2C(=N1)N=CN2C3CC(C(O3)CO)O

DOS

IR

Vibrations