Geometry & MOs

Info

ID:	61735
PubChem CID:	26712256
Reduced:	FN3O3H22C23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	389.103
ΔH_f, kcal/mol:	-74.5
Dipole, Da:	2.11
IP(EA), eV:	-8.3(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)/C=C/C(=O)NC3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations