Geometry & MOs

Info

ID:	64916
PubChem CID:	29204196
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	401.195071
ΔH_f, kcal/mol:	-66.39
Dipole, Da:	3.33
IP(EA), eV:	-8.98(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCC1=CN=CC=C1)NC(=O)/C=C/C2=CC=C(C=C2)OC

DOS

IR

Vibrations