Geometry & MOs

Info

ID:	366928
PubChem CID:	127321914
Reduced:	SO3N4C17H26 (1)
Stoich.:	AB3C4D17E26 (1)
Weight, g/mol:	387.20591
ΔH_f, kcal/mol:	-101.0
Dipole, Da:	4.93
IP(EA), eV:	-9.15(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-azaspiro[5.5]undec-9-en-2-yl-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)NCC(=O)N2CCCC3(C2)CCC=CC3

DOS

IR

Vibrations