Geometry & MOs

Info

ID:	358258
PubChem CID:	127295803
Reduced:	SO3N5C14H21 (1)
Stoich.:	AB3C5D14E21 (1)
Weight, g/mol:	350.268176
ΔH_f, kcal/mol:	-102.67
Dipole, Da:	3.13
IP(EA), eV:	-9.25(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepan-1-yl)-3-oxopropyl]-3-piperidin-1-ylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)CCNC(=O)NCC2=CSC=N2

DOS

IR

Vibrations