Geometry & MOs

Info

ID:	272160
PubChem CID:	103729568
Reduced:	NOC7H14 (2)
Stoich.:	ABC7D14 (2)
Weight, g/mol:	274.15037
ΔH_f, kcal/mol:	-115.81
Dipole, Da:	3.13
IP(EA), eV:	-8.96(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-phenylbutan-1-amine

Drug info:

PubChemData

Smile

CC(C1CC1)NCCCN(C)C(=O)OC(C)(C)C

DOS

IR

Vibrations