Geometry & MOs

Info

ID:	352939
PubChem CID:	127284030
Reduced:	ON4C17H20 (1)
Stoich.:	AB4C17D20 (1)
Weight, g/mol:	316.109089
ΔH_f, kcal/mol:	33.88
Dipole, Da:	5.34
IP(EA), eV:	-9.25(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-chlorophenyl)-5-methyltriazol-4-yl]-(4-methylidenepiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)N3CCC(=C)CC3)C

DOS

IR

Vibrations