Geometry & MOs

Info

ID:	448295
PubChem CID:	135289968
Reduced:	NO4C13H19 (1)
Stoich.:	AB4C13D19 (1)
Weight, g/mol:	364.142307
ΔH_f, kcal/mol:	-118.7
Dipole, Da:	6.77
IP(EA), eV:	-9.14(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-methoxy-4-[(prop-2-ynylamino)methyl]phenyl]prop-2-enoylamino]benzoic acid

Drug info:

PubChemData

Smile

CN(C)CCOC1=C(C=CC(=C1OC)OC)C=O

DOS

IR

Vibrations