Geometry & MOs

Info

ID:	366885
PubChem CID:	127321787
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	387.20591
ΔH_f, kcal/mol:	-67.69
Dipole, Da:	5.78
IP(EA), eV:	-8.95(-0.69)
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-5-yltriazol-4-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC=C(C1=O)C(=O)N2CCCC3(C2)CCC=CC3

DOS

IR

Vibrations