Geometry & MOs

Info

ID:	158060
PubChem CID:	56459450
Reduced:	F3N4O5C19H25 (1)
Stoich.:	A3B4C5D19E25 (1)
Weight, g/mol:	408.204907
ΔH_f, kcal/mol:	-293.96
Dipole, Da:	7.92
IP(EA), eV:	-9.33(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations