Geometry & MOs

Info

ID:	422162
PubChem CID:	135117315
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	290.154289
ΔH_f, kcal/mol:	-52.59
Dipole, Da:	4.38
IP(EA), eV:	-9.3(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC=C1)C(=O)N(CCO)CC2=NC=CN2

DOS

IR

Vibrations