Geometry & MOs

Info

ID:	181643
PubChem CID:	76768059
Reduced:	N4O4C23H26 (1)
Stoich.:	A4B4C23D26 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-65.76
Dipole, Da:	7.91
IP(EA), eV:	-8.63(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-(4-isocyano-2,3-dihydro-1H-inden-1-yl)carbamate

Drug info:

PubChemData

Smile

CN(C)CC(=O)NC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)NC(CN)C(=O)CO

DOS

IR

Vibrations