Geometry & MOs

Info

ID:	14074
PubChem CID:	403561
Reduced:	ON2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	-49.06
Dipole, Da:	4.26
IP(EA), eV:	-8.59(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-(1H-indol-3-yl)-4,5-dihydro-1H-imidazol-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=NCC(N1)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations