Geometry & MOs

Info

ID:	224918
PubChem CID:	85709765
Reduced:	SN2O2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	196.193949
ΔH_f, kcal/mol:	-62.7
Dipole, Da:	4.3
IP(EA), eV:	-8.82(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(2-prop-1-en-2-ylheptylideneamino)methanamine

Drug info:

PubChemData

Smile

C1C(=O)NC(=CC(=O)NCCC2=CC=CC=C2)S1

DOS

IR

Vibrations