Geometry & MOs

Info

ID:	324159
PubChem CID:	126677047
Reduced:	ON5C29H33 (1)
Stoich.:	AB5C29D33 (1)
Weight, g/mol:	413.196408
ΔH_f, kcal/mol:	69.24
Dipole, Da:	6.55
IP(EA), eV:	-8.34(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-[(3-phenylmethoxyphenyl)methyl]pyrazol-4-yl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=CC(=CC(=N2)N3C(=CC=C3C)C)C/C(=C/N)/C=NCC4=CC(=CC=C4)OC)C

DOS

IR

Vibrations