Geometry & MOs

Info

ID:	349448
PubChem CID:	127275235
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-127.95
Dipole, Da:	4.22
IP(EA), eV:	-8.97(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclohexyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CC(N(C1)CC(=O)NC(=O)NC2CC2)C3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations