Geometry & MOs

Info

ID:	183914
PubChem CID:	77089126
Reduced:	SN2O4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	251.199762
ΔH_f, kcal/mol:	-140.71
Dipole, Da:	1.04
IP(EA), eV:	-9.32(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(oxolan-3-ylmethyl)propan-1-amine

Drug info:

PubChemData

Smile

CCN(CC1CCCCO1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC3

DOS

IR

Vibrations