Geometry & MOs

Info

ID:	404890
PubChem CID:	135071669
Reduced:	NO2C20H27 (1)
Stoich.:	AB2C20D27 (1)
Weight, g/mol:	422.163043
ΔH_f, kcal/mol:	-45.79
Dipole, Da:	3.68
IP(EA), eV:	-8.01(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-(1-benzylindole-2-carbonyl)-N-prop-2-ynylcarbamate

Drug info:

PubChemData

Smile

CCCCC#CC(C)C(C1=CC2=C(N1CC)C=CC(=C2)OC)O

DOS

IR

Vibrations