Geometry & MOs

Info

ID:	422996
PubChem CID:	135118744
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	313.146013
ΔH_f, kcal/mol:	-100.34
Dipole, Da:	7.38
IP(EA), eV:	-9.0(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-4-methoxy-7-(1-methylpyrazol-4-yl)sulfonyl-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN3C[C@@H]4COC[C@H](C3)NC4=O

DOS

IR

Vibrations