Geometry & MOs

Info

ID:	349640
PubChem CID:	127275792
Reduced:	FN2O3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	293.185175
ΔH_f, kcal/mol:	-135.44
Dipole, Da:	2.26
IP(EA), eV:	-9.39(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)C(C2=CC=CC=C2)NC(=O)N3CCOC(C3)C4=CC(=CC=C4)F

DOS

IR

Vibrations