Geometry & MOs

Info

ID:	432274
PubChem CID:	135172406
Reduced:	O3C18H20 (1)
Stoich.:	A3B18C20 (1)
Weight, g/mol:	196.193949
ΔH_f, kcal/mol:	-77.99
Dipole, Da:	1.82
IP(EA), eV:	-8.79(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,7R)-2-ethenyl-3,3-dimethyloct-1-ene-1,7-diamine

Drug info:

PubChemData

Smile

CCC(=O)COCCOC1=CC=C(C=C1)C2=CC=CC=C2

DOS

IR

Vibrations