Geometry & MOs

Info

ID:	182773
PubChem CID:	76936565
Reduced:	O4H16C17 (1)
Stoich.:	A4B16C17 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-108.21
Dipole, Da:	4.46
IP(EA), eV:	-9.11(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-methylphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC2=CC=CC(=C2)OC)C=CC(=O)O

DOS

IR

Vibrations