Geometry & MOs

Info

ID:	172328
PubChem CID:	75497049
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	408.273656
ΔH_f, kcal/mol:	-38.31
Dipole, Da:	2.24
IP(EA), eV:	-8.75(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CC1C(CCO1)N2CCC(C2)CC3=CC=CC=C3

DOS

IR

Vibrations