Geometry & MOs

Info

ID:	401941
PubChem CID:	135053448
Reduced:	N2O2C19H23 (1)
Stoich.:	A2B2C19D23 (1)
Weight, g/mol:	405.189986
ΔH_f, kcal/mol:	-29.87
Dipole, Da:	2.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.074598
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-(4-nitro-1H-indol-3-yl)ethyl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C(C#[N+]C(C)(C)C)NC1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations