Geometry & MOs

Info

ID:	432156
PubChem CID:	135172288
Reduced:	SN3H29C43 (1)
Stoich.:	AB3C29D43 (1)
Weight, g/mol:	332.181253
ΔH_f, kcal/mol:	192.97
Dipole, Da:	3.05
IP(EA), eV:	-7.82(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-methylidenepiperidine

Drug info:

PubChemData

Smile

CNC1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=CC8=C7SC9=CC=CC=C89)C1=CC=CC=C12

DOS

IR

Vibrations