Geometry & MOs

Info

ID:	367957
PubChem CID:	127326140
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-110.32
Dipole, Da:	6.02
IP(EA), eV:	-8.73(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-methylcyclohexyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)C(=O)N(C4=O)C

DOS

IR

Vibrations