Geometry & MOs

Info

ID:	439159
PubChem CID:	135228924
Reduced:	IN2O2H11C16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	340.231477
ΔH_f, kcal/mol:	43.69
Dipole, Da:	5.79
IP(EA), eV:	-9.0(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(cyclopropylmethyl)cyclohexyl]prop-2-enyl]-3-(3-fluoro-2-methylphenyl)-1H-diazete

Drug info:

PubChemData

Smile

C1=CC2=C(C(N3C2=CN=C3)CC(=O)C4=CC=CO4)C(=C1)I

DOS

IR

Vibrations