Geometry & MOs

Info

ID:	422452
PubChem CID:	135117852
Reduced:	ON7C18H25 (1)
Stoich.:	AB7C18D25 (1)
Weight, g/mol:	346.146347
ΔH_f, kcal/mol:	20.33
Dipole, Da:	5.42
IP(EA), eV:	-8.19(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(dimethylamino)methyl]-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1N2CCC3=C(C2)C(=NN3C)C(=O)N)N4CCCC4)C

DOS

IR

Vibrations