Geometry & MOs

Info

ID:	76218
PubChem CID:	48424610
Reduced:	NO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	386.164185
ΔH_f, kcal/mol:	-138.48
Dipole, Da:	3.09
IP(EA), eV:	-8.81(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNC(=O)C(CC2=CC=CC=C2)NC(=O)OC)OC

DOS

IR

Vibrations