Geometry & MOs

Info

ID:	244530
PubChem CID:	99361071
Reduced:	O3N4C24H34 (1)
Stoich.:	A3B4C24D34 (1)
Weight, g/mol:	459.203717
ΔH_f, kcal/mol:	-90.82
Dipole, Da:	6.5
IP(EA), eV:	-8.32(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-[[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamoylamino]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC=C1NC(=O)N[C@H](CN2CCN(CC2)C)C3=CC=C(C=C3)OC

DOS

IR

Vibrations