Geometry & MOs

Info

ID:	28903
PubChem CID:	830470
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	325.119319
ΔH_f, kcal/mol:	-92.58
Dipole, Da:	2.86
IP(EA), eV:	-9.11(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-(2-chloroanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1(C[C@H](C2=C(C1)OC=C2)NC(=O)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations