Geometry & MOs

Info

ID:	420074
PubChem CID:	135111000
Reduced:	NO3C19H27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	300.12224
ΔH_f, kcal/mol:	-136.16
Dipole, Da:	2.98
IP(EA), eV:	-8.91(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N2CC[C@@H]([C@@](C2)(CC3=CC=CC=C3)C(=O)O)O

DOS

IR

Vibrations