Geometry & MOs

Info

ID:	267996
PubChem CID:	103594500
Reduced:	FON2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	222.116841
ΔH_f, kcal/mol:	-88.96
Dipole, Da:	4.66
IP(EA), eV:	-8.41(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-7-fluoro-8-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1F)NC(=O)C3(CCCCCC3)CN2

DOS

IR

Vibrations