Geometry & MOs

Info

ID:	414128
PubChem CID:	135087083
Reduced:	BrO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	267.125929
ΔH_f, kcal/mol:	-124.47
Dipole, Da:	4.17
IP(EA), eV:	-9.02(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(3-methylphenyl)-phenylmethylidene]amino]acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C(/C(=O)CC(=O)OC)\Br

DOS

IR

Vibrations