Geometry & MOs

Info

ID:	59346
PubChem CID:	24823963
Reduced:	ON6C17H20 (1)
Stoich.:	AB6C17D20 (1)
Weight, g/mol:	354.124739
ΔH_f, kcal/mol:	51.46
Dipole, Da:	5.68
IP(EA), eV:	-9.19(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2-chloroanilino)pyrimidin-4-yl]amino]-1-(3-methylphenyl)ethanol

Drug info:

PubChemData

Smile

CC1(CCC(CC1)NC2=NC=CC(=N2)N3C4=CC=CC=C4N=N3)O

DOS

IR

Vibrations