Geometry & MOs

Info

ID:	163843
PubChem CID:	74380536
Reduced:	O2N9C27H41 (1)
Stoich.:	A2B9C27D41 (1)
Weight, g/mol:	411.179421
ΔH_f, kcal/mol:	3.28
Dipole, Da:	2.87
IP(EA), eV:	-7.99(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl 4-[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

COC1CC2C(CC1=O)NCNC2N3C(=NC(=N3)NC4=CC=C(C=C4)N5CCN(CC5)C6CCCCC6)N

DOS

IR

Vibrations