Geometry & MOs

Info

ID:	324011
PubChem CID:	126676759
Reduced:	PO5C12H17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	440.243693
ΔH_f, kcal/mol:	-246.25
Dipole, Da:	4.46
IP(EA), eV:	-9.84(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydrazinyl-4-[[1-[(4-phenyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]pyrazol-4-yl]methyl]pyridine-2,5-diamine

Drug info:

PubChemData

Smile

CC(C)(COP(O)O)C1=CC=CC=C1C(=O)OC

DOS

IR

Vibrations