Geometry & MOs

Info

ID:	437253
PubChem CID:	135218380
Reduced:	N2C61H76 (1)
Stoich.:	A2B61C76 (1)
Weight, g/mol:	276.089022
ΔH_f, kcal/mol:	97.61
Dipole, Da:	4.42
IP(EA), eV:	-8.4(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-4-methanimidoyl-2-pyrrolidin-1-ylpyrido[2,3-b]pyrazin-3-imine

Drug info:

PubChemData

Smile

C1CCC(=CC1)N(C2CCC3C(C2)C4CCC=CC4C5=C3CCC=C5)C6CCCC7C6C8C=CCCC8C79C1CC(C=CC1C1=C9CCC=C1)N(C1CC=CC=C1)C1=CC=CCC1

DOS

IR

Vibrations