Geometry & MOs

Info

ID:	143474
PubChem CID:	53214442
Reduced:	BrN4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	304.153541
ΔH_f, kcal/mol:	52.61
Dipole, Da:	1.62
IP(EA), eV:	-8.87(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2,4-dimethoxyphenyl)-2-(2-methoxyethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)Br)N

DOS

IR

Vibrations