Geometry & MOs

Info

ID:	15978
PubChem CID:	456989
Reduced:	N3H19C24 (1)
Stoich.:	A3B19C24 (1)
Weight, g/mol:	349.157898
ΔH_f, kcal/mol:	135.26
Dipole, Da:	4.88
IP(EA), eV:	-8.94(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[naphthalen-1-yl-(4-pyrrol-1-ylphenyl)methyl]imidazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C(C3=CC=C(C=C3)N4C=CC=C4)N5C=CN=C5

DOS

IR

Vibrations