Geometry & MOs

Info

ID:	320506
PubChem CID:	126661482
Reduced:	N2O2C11H20 (1)
Stoich.:	A2B2C11D20 (1)
Weight, g/mol:	201.15175
ΔH_f, kcal/mol:	-96.98
Dipole, Da:	2.82
IP(EA), eV:	-9.15(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-ethylidene-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hex-5-yn-2-imine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@@H]1CNC2[C@@H]1C2

DOS

IR

Vibrations