Geometry & MOs

Info

ID:	133248
PubChem CID:	51497855
Reduced:	ClN2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	319.178358
ΔH_f, kcal/mol:	-56.59
Dipole, Da:	3.67
IP(EA), eV:	-9.28(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC=C(C2=N1)Cl)C(=O)N[C@H]3CCCOC3

DOS

IR

Vibrations