Geometry & MOs

Info

ID:	271195
PubChem CID:	103647449
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-76.2
Dipole, Da:	8.71
IP(EA), eV:	-9.15(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(3-cyanophenyl)methylamino]propyl]-N-ethylcarbamate

Drug info:

PubChemData

Smile

CCN(CCCNCC1=CC=C(C=C1)C#N)C(=O)OC(C)(C)C

DOS

IR

Vibrations