Geometry & MOs

Info

ID:	350097
PubChem CID:	127276970
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	318.241962
ΔH_f, kcal/mol:	-77.61
Dipole, Da:	3.26
IP(EA), eV:	-8.49(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyano-1-cyclopropylethyl)-2-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CN3CCCC3CN4CCCCC4)C

DOS

IR

Vibrations