Geometry & MOs

Info

ID:	175230
PubChem CID:	75871321
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	361.134779
ΔH_f, kcal/mol:	-58.02
Dipole, Da:	4.98
IP(EA), eV:	-8.53(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-propyl-1,3-thiazol-4-yl)methyl 3,4-dimethoxy-5-prop-1-enylbenzoate

Drug info:

PubChemData

Smile

C1CC2CNNC2CC1C(=O)OCCC3=CC=CC=C3

DOS

IR

Vibrations