Geometry & MOs

Info

ID:	133249
PubChem CID:	51497856
Reduced:	NO4C18H25 (1)
Stoich.:	AB4C18D25 (1)
Weight, g/mol:	319.178358
ΔH_f, kcal/mol:	-175.74
Dipole, Da:	4.53
IP(EA), eV:	-8.93(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxy-2,5-dimethylphenyl)-N-[(3S)-oxan-3-yl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)C)C(=O)CCC(=O)N[C@@H]2CCCOC2

DOS

IR

Vibrations