Geometry & MOs

Info

ID:	376447
PubChem CID:	134222460
Reduced:	O5C20H22 (1)
Stoich.:	A5B20C22 (1)
Weight, g/mol:	182.105528
ΔH_f, kcal/mol:	-144.89
Dipole, Da:	1.52
IP(EA), eV:	-8.89(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3Z)-hexa-1,3-dien-2-yl]-(methylideneamino)amino]acetic acid

Drug info:

PubChemData

Smile

COC(C1=CC=CC=C1)(C2=CC=C(C=C2)OCCOC(=O)C=C)OC

DOS

IR

Vibrations