Geometry & MOs

Info

ID:	17214
PubChem CID:	488740
Reduced:	Cl2N6H18C21 (1)
Stoich.:	A2B6C18D21 (1)
Weight, g/mol:	424.097
ΔH_f, kcal/mol:	116.56
Dipole, Da:	10.11
IP(EA), eV:	-8.66(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-cyanoanilino)-6-[(2,6-dichlorophenyl)methyl]pyrimidin-4-yl]-N,N-dimethylmethanimidamide

Drug info:

PubChemData

Smile

CN(C)C=NC1=NC(=NC(=C1)CC2=C(C=CC=C2Cl)Cl)NC3=CC=C(C=C3)C#N

DOS

IR

Vibrations