Geometry & MOs

Info

ID:	426829
PubChem CID:	135154091
Reduced:	O3N6C26H30 (1)
Stoich.:	A3B6C26D30 (1)
Weight, g/mol:	321.07474
ΔH_f, kcal/mol:	-25.83
Dipole, Da:	3.43
IP(EA), eV:	-8.8(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(difluoromethyl)thiadiazol-5-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)C(=O)N[C@H]4CCC5=C(C4)C=CC=N5

DOS

IR

Vibrations