Geometry & MOs

Info

ID:	194255
PubChem CID:	78504328
Reduced:	BrNO4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	370.249452
ΔH_f, kcal/mol:	-89.39
Dipole, Da:	4.64
IP(EA), eV:	-8.92(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]methylamino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C1=CC=CC=C1)OC2=C(C=C(C(=C2)C=O)Br)OC

DOS

IR

Vibrations