Geometry & MOs

Info

ID:	216541
PubChem CID:	85086389
Reduced:	SiO2C16H26 (1)
Stoich.:	AB2C16D26 (1)
Weight, g/mol:	289.19026
ΔH_f, kcal/mol:	-106.1
Dipole, Da:	1.92
IP(EA), eV:	-8.12(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-8-(1H-pyrrol-2-yl)-3,3a,4,5,5a,6,7,8,9,9a-decahydro-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

Drug info:

PubChemData

Smile

CC(C)CC(C=C(O)OC)[Si](C)(C)C1=CC=CC=C1

DOS

IR

Vibrations