Geometry & MOs

Info

ID:	445943
PubChem CID:	135269992
Reduced:	O2N6C23H24 (1)
Stoich.:	A2B6C23D24 (1)
Weight, g/mol:	461.188546
ΔH_f, kcal/mol:	43.48
Dipole, Da:	4.02
IP(EA), eV:	-8.68(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(methylaminomethyl)benzenecarboximidoyl] 3-methyl-6-[4-(oxolan-3-ylsulfanyl)phenyl]pyrazine-2-carboximidate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN(C(O2)C3=NC(=CN=C3N)C4=CC=C(C=C4)C(=O)N(C)C)C

DOS

IR

Vibrations