Geometry & MOs

Info

ID:	367941
PubChem CID:	127326116
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	360.198383
ΔH_f, kcal/mol:	-113.92
Dipole, Da:	4.48
IP(EA), eV:	-8.27(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanothiophen-2-yl)-3-[4-(4-methylcyclohexyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations