Geometry & MOs

Info

ID:	216779
PubChem CID:	85086760
Reduced:	N3O4C15H17 (1)
Stoich.:	A3B4C15D17 (1)
Weight, g/mol:	300.106277
ΔH_f, kcal/mol:	-58.87
Dipole, Da:	3.76
IP(EA), eV:	-9.68(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-benzyl-7-fluorocarbazole-2-carbonitrile

Drug info:

PubChemData

Smile

CCCN1C(=O)C(C(NC1=O)C=CC2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations