Geometry & MOs

Info

ID:	280072
PubChem CID:	103846697
Reduced:	SO2N3C15H27 (1)
Stoich.:	AB2C3D15E27 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-100.54
Dipole, Da:	2.6
IP(EA), eV:	-9.28(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(4-cyanophenyl)methylamino]ethyl]-N-propylcarbamate

Drug info:

PubChemData

Smile

CCCN(CCNCC1=CN=C(S1)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations