Geometry & MOs

Info

ID:	448938
PubChem CID:	135294598
Reduced:	SO4N7C37H53 (1)
Stoich.:	AB4C7D37E53 (1)
Weight, g/mol:	462.98275
ΔH_f, kcal/mol:	-127.98
Dipole, Da:	4.36
IP(EA), eV:	-8.2(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dichlorophenyl)-6-[3-(iodoamino)piperidin-1-yl]pyrazin-2-amine

Drug info:

PubChemData

Smile

CCCO[C@@H](CCCCC(=O)OC(C)(C)C)CN=C/C(=C\N)/NC1=NC=CC(=N1)C2=CC(=C(C=C2)CNC(=O)C3=CN=C(S3)C(C)(C)C)C

DOS

IR

Vibrations