Geometry & MOs

Info

ID:	200646
PubChem CID:	79421327
Reduced:	NOC18H23 (1)
Stoich.:	ABC18D23 (1)
Weight, g/mol:	260.13472
ΔH_f, kcal/mol:	-9.2
Dipole, Da:	2.04
IP(EA), eV:	-8.78(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(CCOC2=CC=CC=C2)CNC

DOS

IR

Vibrations