Geometry & MOs

Info

ID:	414268
PubChem CID:	135087224
Reduced:	O3N5C17H17 (1)
Stoich.:	A3B5C17D17 (1)
Weight, g/mol:	356.188212
ΔH_f, kcal/mol:	22.75
Dipole, Da:	7.76
IP(EA), eV:	-9.21(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CN=CC(=N2)NCC3=NOC(=C3)C4=CC=CO4

DOS

IR

Vibrations