Geometry & MOs

Info

ID:	149390
PubChem CID:	53789062
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	474.82412
ΔH_f, kcal/mol:	-39.47
Dipole, Da:	4.88
IP(EA), eV:	-8.39(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-amino-3,5-dibromophenyl)-3-(4-bromophenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)CCN4C=C(NC4=O)O

DOS

IR

Vibrations