Geometry & MOs

Info

ID:	151507
PubChem CID:	53837740
Reduced:	ClNOC20H22 (1)
Stoich.:	ABCD20E22 (1)
Weight, g/mol:	468.23727
ΔH_f, kcal/mol:	-1.3
Dipole, Da:	3.32
IP(EA), eV:	-8.71(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-[2-[4-methoxy-4-(4-methylpiperazin-1-yl)-1-oxobut-1-en-2-yl]oxyphenyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(NCC2)C3(CCC3)C4=CC=CC=C4Cl

DOS

IR

Vibrations