Geometry & MOs

Info

ID:	207744
PubChem CID:	80444025
Reduced:	ON2C14H30 (1)
Stoich.:	AB2C14D30 (1)
Weight, g/mol:	320.101706
ΔH_f, kcal/mol:	-76.41
Dipole, Da:	1.44
IP(EA), eV:	-8.46(2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butan-2-yl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde

Drug info:

PubChemData

Smile

CCC(C)C(CN(CC)CC1CCCO1)NC

DOS

IR

Vibrations