Geometry & MOs

Info

ID:	318236
PubChem CID:	126649971
Reduced:	N5C21H23 (1)
Stoich.:	A5B21C23 (1)
Weight, g/mol:	371.130614
ΔH_f, kcal/mol:	98.46
Dipole, Da:	4.66
IP(EA), eV:	-8.44(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=CC(=CC(=N2)N3C(=CC=C3C)C)CC4=CNN=C4)C

DOS

IR

Vibrations