Geometry & MOs

Info

ID:	439731
PubChem CID:	135229534
Reduced:	ClF2N3C26H34 (1)
Stoich.:	AB2C3D26E34 (1)
Weight, g/mol:	215.1674
ΔH_f, kcal/mol:	-31.26
Dipole, Da:	4.8
IP(EA), eV:	-8.07(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyclopropylidene-(4-methylphenyl)methyl]-N-ethylethanamine

Drug info:

PubChemData

Smile

CCCN/C=C(\C)/C#C/C(=C/C)/N=C(C)C(=C)NCCCCCC1=C(C=CC(=C1Cl)F)F

DOS

IR

Vibrations