Geometry & MOs

Info

ID:	148890
PubChem CID:	53788560
Reduced:	ClN3O3C22H26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	260.173607
ΔH_f, kcal/mol:	-62.65
Dipole, Da:	6.3
IP(EA), eV:	-8.62(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate

Drug info:

PubChemData

Smile

C1CCN(CC1)CCCC2CN(C(=O)O2)N=CC3=CC=C(O3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations