Geometry & MOs

Info

ID:	275642
PubChem CID:	103816859
Reduced:	N3O4C14H15 (1)
Stoich.:	A3B4C14D15 (1)
Weight, g/mol:	255.100777
ΔH_f, kcal/mol:	-141.06
Dipole, Da:	4.41
IP(EA), eV:	-9.41(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](C2=CC=CC=C21)NC(=O)CN3C(=O)CNC3=O)O

DOS

IR

Vibrations