Geometry & MOs

Info

ID:	367478
PubChem CID:	127324809
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	381.262757
ΔH_f, kcal/mol:	-36.84
Dipole, Da:	4.79
IP(EA), eV:	-9.52(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxycyclohexyl)-N-methyl-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CN(C1CCC(CC1)OC)C(=O)C2=NOC(=C2)C3=CC=NC=C3

DOS

IR

Vibrations