Geometry & MOs

Info

ID:	413330
PubChem CID:	135086278
Reduced:	BrNO3H14C19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	350.090272
ΔH_f, kcal/mol:	-36.56
Dipole, Da:	2.36
IP(EA), eV:	-8.98(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-(3-formyl-1H-indol-2-yl)-3-(2-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)/C(=C\C1=CC=C(C=C1)Br)/C2=C(C3=CC=CC=C3N2)C=O

DOS

IR

Vibrations