Geometry & MOs

Info

ID:	28915
PubChem CID:	830618
Reduced:	NO4H15C19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	201.090212
ΔH_f, kcal/mol:	-83.63
Dipole, Da:	2.75
IP(EA), eV:	-9.01(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylanilino)-2-oxopropanimidoyl cyanide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)OC(=O)C)C(=O)O2

DOS

IR

Vibrations