Geometry & MOs

Info

ID:	415080
PubChem CID:	135088066
Reduced:	ON2S2C15H22 (1)
Stoich.:	AB2C2D15E22 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-15.47
Dipole, Da:	4.36
IP(EA), eV:	-8.97(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1CSCC(CS1)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations