Geometry & MOs

Info

ID:	138587
PubChem CID:	52388821
Reduced:	NSO4C17H25 (1)
Stoich.:	ABC4D17E25 (1)
Weight, g/mol:	319.171834
ΔH_f, kcal/mol:	-145.12
Dipole, Da:	5.23
IP(EA), eV:	-9.56(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-oxolan-2-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(thiophen-3-ylmethyl)methanamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/S(=O)(=O)NCCCOC[C@H]2CCCO2

DOS

IR

Vibrations