Geometry & MOs

Info

ID:	417051
PubChem CID:	135091229
Reduced:	SN4O4C15H26 (1)
Stoich.:	AB4C4D15E26 (1)
Weight, g/mol:	326.210661
ΔH_f, kcal/mol:	-155.89
Dipole, Da:	8.32
IP(EA), eV:	-9.33(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=C(NN=C1CCC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)C

DOS

IR

Vibrations