Geometry & MOs

Info

ID:	132082
PubChem CID:	51303773
Reduced:	ON3S3C17H17 (1)
Stoich.:	AB3C3D17E17 (1)
Weight, g/mol:	334.200491
ΔH_f, kcal/mol:	28.92
Dipole, Da:	4.95
IP(EA), eV:	-8.7(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclopentyl)-2-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CS2)CSC3=NC(=C(S3)CC(=O)N)C

DOS

IR

Vibrations