Geometry & MOs

Info

ID:	324341
PubChem CID:	126677471
Reduced:	O3N5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	400.130218
ΔH_f, kcal/mol:	-18.03
Dipole, Da:	5.0
IP(EA), eV:	-8.58(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4-chloroanilino)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]amino]ethanol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CC(=NC(=N2)N3CCOCC3)NC4=CC=NC=C4)OC

DOS

IR

Vibrations