Geometry & MOs

Info

ID:	222394
PubChem CID:	85297347
Reduced:	N4O7C19H24 (1)
Stoich.:	A4B7C19D24 (1)
Weight, g/mol:	420.241293
ΔH_f, kcal/mol:	-39.56
Dipole, Da:	4.85
IP(EA), eV:	-9.4(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-benzyl-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC2CC(=O)CC1N2CCCCC(C(=O)O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations