Geometry & MOs

Info

ID:	159127
PubChem CID:	57260468
Reduced:	Cl2N2O2C35H40 (1)
Stoich.:	A2B2C2D35E40 (1)
Weight, g/mol:	346.258006
ΔH_f, kcal/mol:	-52.13
Dipole, Da:	4.15
IP(EA), eV:	-8.76(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)CC(=O)N(C)C[C@@H](CCC2=CC3=CC=CC=C3C24CCNCC4)C5=CC(=C(C=C5)Cl)Cl

DOS

IR

Vibrations