Geometry & MOs

Info

ID:	320448
PubChem CID:	126661063
Reduced:	NF2O2C22H25 (1)
Stoich.:	AB2C2D22E25 (1)
Weight, g/mol:	375.120148
ΔH_f, kcal/mol:	-148.84
Dipole, Da:	4.58
IP(EA), eV:	-8.98(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[1-[5-chloro-3-(3,4-difluorophenyl)-2-methylphenyl]ethylidene]azepan-2-one

Drug info:

PubChemData

Smile

CCCCNC(=O)/C(=C/C1=C(C(=CC(=C1F)F)C2=CC=C(C=C2)OC)C)/C

DOS

IR

Vibrations