Geometry & MOs

Info

ID:	350904
PubChem CID:	127279192
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-76.73
Dipole, Da:	4.9
IP(EA), eV:	-8.87(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-N-(1-cyanocyclohexyl)-N-methylacetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C#N)NC(=O)CN2CCCC2C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations