Geometry & MOs

Info

ID:	352909
PubChem CID:	127283999
Reduced:	ON7C18H21 (1)
Stoich.:	AB7C18D21 (1)
Weight, g/mol:	371.126136
ΔH_f, kcal/mol:	75.28
Dipole, Da:	8.65
IP(EA), eV:	-9.5(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-chlorophenyl)-5-methyltriazol-4-yl]-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)N3CCCC(C3)N4C=NC=N4)C

DOS

IR

Vibrations