Geometry & MOs

Info

ID:	173125
PubChem CID:	75601068
Reduced:	NiN3O4H37C40 (1)
Stoich.:	AB3C4D37E40 (1)
Weight, g/mol:	227.1674
ΔH_f, kcal/mol:	78.17
Dipole, Da:	3.46
IP(EA), eV:	-8.66(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(cyclohexen-1-yl)ethenyl]-N,N-dimethylaniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC(=NC3=CC=CC=C3C(=NC(C(CCO)C4=CC=CC=C4)C(=O)[O-])C5=CC=CC=C5)[O-].[Ni+2]

DOS

IR

Vibrations