Geometry & MOs

Info

ID:	324219
PubChem CID:	126677167
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	399.180758
ΔH_f, kcal/mol:	-42.69
Dipole, Da:	3.74
IP(EA), eV:	-8.89(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OCC(=N)N(C)C(=N)OC

DOS

IR

Vibrations