Geometry & MOs

Info

ID:	280842
PubChem CID:	103851563
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-68.37
Dipole, Da:	2.46
IP(EA), eV:	-9.29(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(2-cyanophenyl)methylamino]propyl]-N-ethylcarbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)NCC2=CC=CC=C2C#N

DOS

IR

Vibrations