Geometry & MOs

Info

ID:	263781
PubChem CID:	103397843
Reduced:	ClO2N3C16H22 (1)
Stoich.:	AB2C3D16E22 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-80.83
Dipole, Da:	2.28
IP(EA), eV:	-9.28(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-(3-phenylpropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN=C(C1)NCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations