Geometry & MOs

Info

ID:	31087
PubChem CID:	854453
Reduced:	N3H13C17 (1)
Stoich.:	A3B13C17 (1)
Weight, g/mol:	205.063997
ΔH_f, kcal/mol:	92.17
Dipole, Da:	3.19
IP(EA), eV:	-9.11(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,10-phenanthroline-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations