Geometry & MOs

Info

ID:	445961
PubChem CID:	135270035
Reduced:	SN5O5C16H17 (1)
Stoich.:	AB5C5D16E17 (1)
Weight, g/mol:	318.253195
ΔH_f, kcal/mol:	-97.11
Dipole, Da:	4.02
IP(EA), eV:	-9.46(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-amino-3-[4-(ethylaminomethyl)cyclohexa-1,3-dien-1-yl]-1-methyl-2H-pyrazin-5-yl]-N,N'-dimethylmethanediamine

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=NN=C(O3)C(O)O)N

DOS

IR

Vibrations