Geometry & MOs

Info

ID:	135609
PubChem CID:	51901580
Reduced:	O2N5C20H30 (1)
Stoich.:	A2B5C20D30 (1)
Weight, g/mol:	480.168522
ΔH_f, kcal/mol:	11.31
Dipole, Da:	4.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752528
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

CCCC1=NOC(=C1)CNC(=O)C2=CN=C(C=C2)N3CC[NH+]([C@@H](C3)CC)C

DOS

IR

Vibrations