Geometry & MOs

Info

ID:	246057
PubChem CID:	103040871
Reduced:	BrClFC12H15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	270.093519
ΔH_f, kcal/mol:	-67.01
Dipole, Da:	2.61
IP(EA), eV:	-9.57(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-chloro-4-fluorophenyl)methyl]-3-methyl-1,4-diazepan-2-one

Drug info:

PubChemData

Smile

CCC(C(C)CC1=CC(=C(C=C1)F)Cl)Br

DOS

IR

Vibrations