Geometry & MOs

Info

ID:	195116
PubChem CID:	78637055
Reduced:	N3O5H19C20 (1)
Stoich.:	A3B5C19D20 (1)
Weight, g/mol:	384.168522
ΔH_f, kcal/mol:	-134.65
Dipole, Da:	7.5
IP(EA), eV:	-8.49(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]amino]-2-oxoethyl] pyridine-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)COC(=O)C3=CC=CC=N3

DOS

IR

Vibrations