Geometry & MOs

Info

ID:	28107
PubChem CID:	825586
Reduced:	FON3H12C16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	302.149124
ΔH_f, kcal/mol:	12.9
Dipole, Da:	4.17
IP(EA), eV:	-8.48(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4-nitrophenyl)-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]hydrazine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C=NNC(=O)C3=CC(=CC=C3)F

DOS

IR

Vibrations