Geometry & MOs

Info

ID:	405665
PubChem CID:	135074878
Reduced:	FNOH18C21 (1)
Stoich.:	ABCD18E21 (1)
Weight, g/mol:	378.194343
ΔH_f, kcal/mol:	36.95
Dipole, Da:	3.63
IP(EA), eV:	-8.56(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-4-[benzyl(1H-indol-2-ylmethyl)amino]-3-methylbut-2-enyl] methyl carbonate

Drug info:

PubChemData

Smile

CN1C=C(C2=C1C=C(C=C2)F)C(C3(CC3)C#CC4=CC=CC=C4)O

DOS

IR

Vibrations