Geometry & MOs

Info

ID:	367938
PubChem CID:	127326112
Reduced:	ON5C23H37 (1)
Stoich.:	AB5C23D37 (1)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-41.72
Dipole, Da:	2.4
IP(EA), eV:	-8.05(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)CC(=O)NC3=CN=C(C=C3)N4CCCCC4

DOS

IR

Vibrations