Geometry & MOs

Info

ID:	17153
PubChem CID:	486387
Reduced:	N7H15C21 (1)
Stoich.:	A7B15C21 (1)
Weight, g/mol:	365.138894
ΔH_f, kcal/mol:	171.67
Dipole, Da:	5.51
IP(EA), eV:	-9.36(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylanilino)pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC2=NC(=NC=C2C#N)NC3=CC=C(C=C3)C#N)C)C#N

DOS

IR

Vibrations