Geometry & MOs

Info

ID:	137742
PubChem CID:	52256166
Reduced:	ON3C19H32 (1)
Stoich.:	AB3C19D32 (1)
Weight, g/mol:	354.103814
ΔH_f, kcal/mol:	-24.36
Dipole, Da:	4.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752363
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCC(=O)NCC1=CC=C(C=C1)CN2CC[NH+](CC2)CC

DOS

IR

Vibrations