Geometry & MOs

Info

ID:	157509
PubChem CID:	56435335
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	430.165935
ΔH_f, kcal/mol:	-148.6
Dipole, Da:	2.03
IP(EA), eV:	-8.48(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-2-oxo-1-phenylethyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CNC(=O)C(C2=CC=CC=C2)NC(=O)CC(C)C

DOS

IR

Vibrations