Geometry & MOs

Info

ID:	266633
PubChem CID:	103576743
Reduced:	SN2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	291.115381
ΔH_f, kcal/mol:	17.01
Dipole, Da:	3.55
IP(EA), eV:	-8.13(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-4-methylpyrrolidin-1-yl)-N-(8lambda4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1CN(CC1N)CCSC2=CC=CC=C2

DOS

IR

Vibrations