Geometry & MOs

Info

ID:	202179
PubChem CID:	79639152
Reduced:	N3C16H31 (1)
Stoich.:	A3B16C31 (1)
Weight, g/mol:	327.054132
ΔH_f, kcal/mol:	-19.02
Dipole, Da:	3.95
IP(EA), eV:	-8.65(1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-(2,5-diethoxyphenyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1(CCC(C1)N(CC(C)C)CC(C)C)C#N

DOS

IR

Vibrations