Geometry & MOs

Info

ID:	406205
PubChem CID:	135076867
Reduced:	O2C15H28 (1)
Stoich.:	A2B15C28 (1)
Weight, g/mol:	178.146999
ΔH_f, kcal/mol:	-100.87
Dipole, Da:	1.2
IP(EA), eV:	-9.87(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(E)-[(Z)-non-2-en-4-ynylidene]amino]methanamine

Drug info:

PubChemData

Smile

CCCCC[C@@H](C[C@H]1[C@@H](O1)/C=C/CCCC)O

DOS

IR

Vibrations