Geometry & MOs

Info

ID:	398744
PubChem CID:	135035178
Reduced:	ClO2N4H27C28 (1)
Stoich.:	AB2C4D27E28 (1)
Weight, g/mol:	447.134969
ΔH_f, kcal/mol:	-4.62
Dipole, Da:	10.11
IP(EA), eV:	-8.54(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(4-chlorophenyl)-5-(4-hydroxy-2-oxochromen-3-yl)-1-pentylpyrrole-3-carbonitrile

Drug info:

PubChemData

Smile

CCCCCN1C(=C(C(=C1N)C#N)C2=CC=C(C=C2)Cl)C3=C(C=C(N(C3=O)C4=CC=CC=C4)C)O

DOS

IR

Vibrations