Geometry & MOs

Info

ID:	68000
PubChem CID:	46507580
Reduced:	BrN2O3H13C16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	312.111007
ΔH_f, kcal/mol:	-26.71
Dipole, Da:	3.93
IP(EA), eV:	-9.09(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-hydroxyimino-N-(4-methoxyphenyl)-3,4-dihydrochromene-3-carboxamide

Drug info:

PubChemData

Smile

C1C(/C(=N/O)/OC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations