Geometry & MOs

Info

ID:	367562
PubChem CID:	127324941
Reduced:	O3N5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	280.215078
ΔH_f, kcal/mol:	-107.44
Dipole, Da:	4.15
IP(EA), eV:	-8.9(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-methylcyclohexyl)piperazin-1-yl]-(oxolan-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)C3=NC4=C(C=C3)C(=O)N(C(=O)N4C)C

DOS

IR

Vibrations