Geometry & MOs

Info

ID:	279126
PubChem CID:	103841529
Reduced:	ON2F3C10H15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	358.00837
ΔH_f, kcal/mol:	-212.65
Dipole, Da:	4.52
IP(EA), eV:	-9.51(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-bromo-4-chlorobenzoyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC=C(C1)CCNC(=O)NCC(F)(F)F

DOS

IR

Vibrations