Geometry & MOs

Info

ID:	348893
PubChem CID:	127274618
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	353.137556
ΔH_f, kcal/mol:	-123.88
Dipole, Da:	6.72
IP(EA), eV:	-9.41(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)C3CC(=O)N(C3)C4CCCC4

DOS

IR

Vibrations