Geometry & MOs

Info

ID:	325938
PubChem CID:	126685671
Reduced:	NO8C29H31 (1)
Stoich.:	AB8C29D31 (1)
Weight, g/mol:	323.136887
ΔH_f, kcal/mol:	-205.18
Dipole, Da:	1.17
IP(EA), eV:	-9.54(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-(2,4-dimethoxy-5-methylbenzoyl)-3-(2-hydroxyethylamino)prop-2-enoate

Drug info:

PubChemData

Smile

CC[C@H](C[C@]([C@@H]([C@H](C(=O)OCC1=CC=CC=C1)O)[N+](=O)[O-])(C(=O)OCC2=CC=CC=C2)O)C3=CC=CC=C3

DOS

IR

Vibrations