Geometry & MOs

Info

ID:	382511
PubChem CID:	134973718
Reduced:	NOC11H13 (2)
Stoich.:	ABC11D13 (2)
Weight, g/mol:	299.163377
ΔH_f, kcal/mol:	-41.82
Dipole, Da:	5.17
IP(EA), eV:	-9.07(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[1-(cyanomethyl)indol-3-yl]ethyl]carbamate

Drug info:

PubChemData

Smile

C1C[C@@H]2C[C@@](NC(=O)[C@@H]2NC1)(COCC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations