Geometry & MOs

Info

ID:	216783
PubChem CID:	85086766
Reduced:	NO5C15H27 (1)
Stoich.:	AB5C15D27 (1)
Weight, g/mol:	301.136117
ΔH_f, kcal/mol:	-262.37
Dipole, Da:	3.0
IP(EA), eV:	-9.78(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-cyano-3-(4-methylpiperazin-1-yl)-N-phenylprop-2-enethioamide

Drug info:

PubChemData

Smile

CC=CC(C(C1COC(N1C(=O)OC(C)(C)C)(C)C)O)O

DOS

IR

Vibrations