Geometry & MOs

Info

ID:	366953
PubChem CID:	127321939
Reduced:	O2N3C19H31 (1)
Stoich.:	A2B3C19D31 (1)
Weight, g/mol:	336.195011
ΔH_f, kcal/mol:	-118.85
Dipole, Da:	2.7
IP(EA), eV:	-9.43(0.87)
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-phenyltriazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NCC(=O)N2CCCC3(C2)CCC=CC3

DOS

IR

Vibrations