Geometry & MOs

Info

ID:	324201
PubChem CID:	126677130
Reduced:	OCl2H10C13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	411.180758
ΔH_f, kcal/mol:	-26.63
Dipole, Da:	3.95
IP(EA), eV:	-8.85(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-[(2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations