Geometry & MOs

Info

ID:	173039
PubChem CID:	75588637
Reduced:	ON2C19H30 (1)
Stoich.:	AB2C19D30 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	11.18
Dipole, Da:	3.92
IP(EA), eV:	-8.46(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-6-(3-methyl-1-prop-2-enylpyrazol-4-yl)oxan-4-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)C(=O)NCC2CC3C=CC2C34CC4

DOS

IR

Vibrations