Geometry & MOs

Info

ID:	238734
PubChem CID:	92765318
Reduced:	O3N4C16H30 (1)
Stoich.:	A3B4C16D30 (1)
Weight, g/mol:	326.231791
ΔH_f, kcal/mol:	-168.26
Dipole, Da:	0.91
IP(EA), eV:	-8.98(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN2CCN(CC2)CCO

DOS

IR

Vibrations