Geometry & MOs

Info

ID:	352802
PubChem CID:	127283891
Reduced:	O2N4C15H26 (1)
Stoich.:	A2B4C15D26 (1)
Weight, g/mol:	386.214033
ΔH_f, kcal/mol:	-85.65
Dipole, Da:	2.72
IP(EA), eV:	-8.84(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CCCN2CC(=O)NC(=O)NC3CC3

DOS

IR

Vibrations