Geometry & MOs

Info

ID:	342652
PubChem CID:	127265812
Reduced:	FN2O3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	360.196154
ΔH_f, kcal/mol:	-141.68
Dipole, Da:	2.22
IP(EA), eV:	-8.74(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenyl)-2-methoxy-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC(=C(C=C1)F)NC(=O)CCCC#C

DOS

IR

Vibrations