Geometry & MOs

Info

ID:	296088
PubChem CID:	117555714
Reduced:	BrN4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	268.028252
ΔH_f, kcal/mol:	62.96
Dipole, Da:	3.99
IP(EA), eV:	-8.87(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-N-(2,5-dichlorophenyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC2=NC(=NC=C2)CN

DOS

IR

Vibrations