Geometry & MOs

Info

ID:	317963
PubChem CID:	126648008
Reduced:	NC34H67 (1)
Stoich.:	AB34C67 (1)
Weight, g/mol:	194.178299
ΔH_f, kcal/mol:	-120.47
Dipole, Da:	1.67
IP(EA), eV:	-8.43(1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[(Z)-but-1-enyl]-5-methyl-N-(methylideneamino)hex-2-en-3-amine

Drug info:

PubChemData

Smile

CCCCCCCC(C)(C)/C(=C\C(C)(CCCCCC)CCCCCC)/NC1CCCCCCC1

DOS

IR

Vibrations