Geometry & MOs

Info

ID:	217322
PubChem CID:	85087617
Reduced:	OC12H16 (2)
Stoich.:	AB12C16 (2)
Weight, g/mol:	350.90646
ΔH_f, kcal/mol:	-90.85
Dipole, Da:	6.21
IP(EA), eV:	-8.98(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-bromo-3-(2,4-dichlorophenyl)-2-formamidoprop-2-enoate

Drug info:

PubChemData

Smile

CC(=C(C=CC(=CC(=O)O)C)C1=CC2=C(C=C1)C(CCC2(C)C)(C)C)C

DOS

IR

Vibrations