Geometry & MOs

Info

ID:	359868
PubChem CID:	127299912
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	380.278741
ΔH_f, kcal/mol:	-11.71
Dipole, Da:	7.13
IP(EA), eV:	-8.56(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)N2CCN(CC2)CC3=CN4C=CC=CC4=C3C#N

DOS

IR

Vibrations