Geometry & MOs

Info

ID:	367962
PubChem CID:	127326145
Reduced:	ON4C24H36 (1)
Stoich.:	AB4C24D36 (1)
Weight, g/mol:	331.237211
ΔH_f, kcal/mol:	-35.03
Dipole, Da:	3.67
IP(EA), eV:	-8.31(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-methylcyclohexyl)piperazin-1-yl]-N-pyrimidin-2-ylpropanamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(C)C(=O)NCCC3=CNC4=CC=CC=C43

DOS

IR

Vibrations