Geometry & MOs

Info

ID:	162228
PubChem CID:	57393996
Reduced:	BrN3C15H18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	368.06366
ΔH_f, kcal/mol:	36.34
Dipole, Da:	5.2
IP(EA), eV:	-9.04(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CC=C(C=C2)Br)NCC(C)C

DOS

IR

Vibrations