Geometry & MOs

Info

ID:	136428
PubChem CID:	52041127
Reduced:	NC7H7 (3)
Stoich.:	AB7C7 (3)
Weight, g/mol:	353.12949
ΔH_f, kcal/mol:	64.6
Dipole, Da:	0.68
IP(EA), eV:	-8.23(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-4-(2,4,6-trimethylphenyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C2=NC(=NC=C2)N3CCC4=CC=CC=C43)C

DOS

IR

Vibrations