Geometry & MOs

Info

ID:	223963
PubChem CID:	85336343
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	394.222957
ΔH_f, kcal/mol:	1.61
Dipole, Da:	7.93
IP(EA), eV:	-8.45(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3,5-dimethyl-4-[2-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol

Drug info:

PubChemData

Smile

CCN1CCCC1CNC(=O)C2=CC(=C3C(=CNO3)C4=CC(=CC=C4)OC)C=N2

DOS

IR

Vibrations