Geometry & MOs

Info

ID:	167764
PubChem CID:	74871195
Reduced:	ON2C9H16 (1)
Stoich.:	AB2C9D16 (1)
Weight, g/mol:	253.052112
ΔH_f, kcal/mol:	-44.63
Dipole, Da:	4.8
IP(EA), eV:	-9.05(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC=CC(=O)NC1CCNCC1

DOS

IR

Vibrations