Geometry & MOs

Info

ID:	145709
PubChem CID:	53579073
Reduced:	N3O3C18H29 (1)
Stoich.:	A3B3C18D29 (1)
Weight, g/mol:	342.12628
ΔH_f, kcal/mol:	-120.46
Dipole, Da:	3.91
IP(EA), eV:	-9.15(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN=C(O1)CN2CCCCC2C(=O)N3CCOCC3

DOS

IR

Vibrations