Geometry & MOs

Info

ID:	138588
PubChem CID:	52389427
Reduced:	OSN3C17H25 (1)
Stoich.:	ABC3D17E25 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	11.99
Dipole, Da:	3.31
IP(EA), eV:	-8.46(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-methoxyphenyl)-4-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]morpholine

Drug info:

PubChemData

Smile

CC(C)N1C=C(C=N1)CN(C[C@H]2CCCO2)CC3=CSC=C3

DOS

IR

Vibrations