Geometry & MOs

Info

ID:	164011
PubChem CID:	74381375
Reduced:	ClO2N4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	455.186987
ΔH_f, kcal/mol:	-33.95
Dipole, Da:	3.57
IP(EA), eV:	-9.18(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyanoanilino)-6-[4-(2-cyanoethenyl)-2,6-dimethylanilino]-N-(2-fluoroethyl)pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=CC=C(C=C1)N2C(=NC3=C2N=CC=C3)CC4CC4)N.Cl

DOS

IR

Vibrations