Geometry & MOs

Info

ID:	152061
PubChem CID:	56310912
Reduced:	O2N5C25H27 (1)
Stoich.:	A2B5C25D27 (1)
Weight, g/mol:	452.188212
ΔH_f, kcal/mol:	33.24
Dipole, Da:	4.68
IP(EA), eV:	-8.69(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-5-[[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CC(=O)NC3=C(C=NN3C4=CC=CC=C4)C#N

DOS

IR

Vibrations