Geometry & MOs

Info

ID:	445898
PubChem CID:	135269892
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	402.169191
ΔH_f, kcal/mol:	-84.11
Dipole, Da:	3.39
IP(EA), eV:	-8.37(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=C(C=C2)C(=O)N)C)C(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations