Geometry & MOs

Info

ID:	238646
PubChem CID:	92764835
Reduced:	ON3C19H35 (1)
Stoich.:	AB3C19D35 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-75.37
Dipole, Da:	4.18
IP(EA), eV:	-8.9(1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-cyclopentyl-4-[(4-pyrimidin-2-yloxyphenyl)methyl]piperazin-2-yl]ethanol

Drug info:

PubChemData

Smile

CCN1CCC[C@@H]1CNCC(=O)N[C@]2([C@@H]3CC[C@@H](C3)C2(C)C)C

DOS

IR

Vibrations