Geometry & MOs

Info

ID:	74638
PubChem CID:	48422218
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	370.152872
ΔH_f, kcal/mol:	-42.32
Dipole, Da:	3.46
IP(EA), eV:	-8.35(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CNC2=CC=CC=C21)OCC3CC3

DOS

IR

Vibrations