Geometry & MOs

Info

ID:	29754
PubChem CID:	836925
Reduced:	ClNO2H16C19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	295.178358
ΔH_f, kcal/mol:	-29.14
Dipole, Da:	2.1
IP(EA), eV:	-8.76(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5-trimethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)NC(=O)COC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations