Geometry & MOs

Info

ID:	249709
PubChem CID:	103091495
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	182.08777
ΔH_f, kcal/mol:	-14.99
Dipole, Da:	1.92
IP(EA), eV:	-9.11(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2,4-dimethyl-1,3-thiazol-5-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C=C/C1=CC=CC(=C1)COC)N

DOS

IR

Vibrations