Geometry & MOs

Info

ID:	271194
PubChem CID:	103647413
Reduced:	NOC9H15 (2)
Stoich.:	ABC9D15 (2)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-115.07
Dipole, Da:	3.55
IP(EA), eV:	-8.91(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(4-cyanophenyl)methylamino]propyl]-N-ethylcarbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CNCCCN(C)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations