Geometry & MOs

Info

ID:	276258
PubChem CID:	103821785
Reduced:	SN3O3C16H25 (1)
Stoich.:	AB3C3D16E25 (1)
Weight, g/mol:	307.189592
ΔH_f, kcal/mol:	-146.0
Dipole, Da:	5.35
IP(EA), eV:	-8.48(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[4-(2-amino-2-oxoethyl)anilino]propyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCNC1=CC=CC=C1SCC(=O)N

DOS

IR

Vibrations