Geometry & MOs

Info

ID:	131742
PubChem CID:	51257131
Reduced:	N2O5C17H24 (1)
Stoich.:	A2B5C17D24 (1)
Weight, g/mol:	369.157623
ΔH_f, kcal/mol:	-155.62
Dipole, Da:	6.03
IP(EA), eV:	-10.22(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-3-(4-methylphenyl)propanoate

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC(CC(=O)OC(C)C)C1=CC=CC=C1[N+](=O)[O-]

DOS

IR

Vibrations