Geometry & MOs

Info

ID:	342398
PubChem CID:	127265221
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	318.103814
ΔH_f, kcal/mol:	-62.3
Dipole, Da:	5.56
IP(EA), eV:	-8.58(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2CCCN2C(=O)C=CC3=CC(=C(C=C3)OC)O

DOS

IR

Vibrations