Geometry & MOs

Info

ID:	169926
PubChem CID:	75168439
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	499.08889
ΔH_f, kcal/mol:	20.95
Dipole, Da:	4.17
IP(EA), eV:	-9.27(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-(4-bromophenyl)sulfonyl-4-(4-methyltriazol-1-yl)piperidin-3-yl]carbamate

Drug info:

PubChemData

Smile

C1CNC1COC2=CN=CC(=C2)C3=CN=CC(=C3)CCOCC4=CC=CC=C4

DOS

IR

Vibrations