Geometry & MOs

Info

ID:	361482
PubChem CID:	127303617
Reduced:	N2O4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	379.283492
ΔH_f, kcal/mol:	-102.73
Dipole, Da:	5.16
IP(EA), eV:	-8.67(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylcyclohexyl)-2-[4-[3-(oxan-2-yl)propanoyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CC=CC(=C2)CN3CCOCC3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations