Geometry & MOs

Info

ID:	357383
PubChem CID:	127294016
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	-15.55
Dipole, Da:	2.22
IP(EA), eV:	-8.33(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=NC=CC(=C2)CNC(=O)C3=NOC4=C3CCCC4

DOS

IR

Vibrations