Geometry & MOs

Info

ID:	75304
PubChem CID:	48423306
Reduced:	N3O4C23H33 (1)
Stoich.:	A3B4C23D33 (1)
Weight, g/mol:	342.13036
ΔH_f, kcal/mol:	-178.87
Dipole, Da:	5.22
IP(EA), eV:	-9.25(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCC(CC2)C(=O)N3CCCCCC3

DOS

IR

Vibrations