Geometry & MOs

Info

ID:	445964
PubChem CID:	135270077
Reduced:	FOSN5C27H30 (1)
Stoich.:	ABCD5E27F30 (1)
Weight, g/mol:	373.19026
ΔH_f, kcal/mol:	59.12
Dipole, Da:	3.21
IP(EA), eV:	-8.5(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-phenyl-6-(4-piperidin-1-ylphenyl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)SC1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CCC=C(C=C4)CNCCF)N

DOS

IR

Vibrations