Geometry & MOs

Info

ID:	54014
PubChem CID:	14719518
Reduced:	ClNO5C21H24 (1)
Stoich.:	ABC5D21E24 (1)
Weight, g/mol:	502.222763
ΔH_f, kcal/mol:	-212.19
Dipole, Da:	3.59
IP(EA), eV:	-8.86(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[7,8-bis(ethylcarbamoyloxy)-9-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]phenyl] N-ethylcarbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=C(C(=C(C=C2C(C1)C3=CC=C(C=C3)O)O)O)Cl

DOS

IR

Vibrations