Geometry & MOs

Info

ID:	417940
PubChem CID:	135103118
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	300.195011
ΔH_f, kcal/mol:	-64.92
Dipole, Da:	3.97
IP(EA), eV:	-8.35(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(4-butan-2-yloxyphenyl)methyl]-3-N,3-N-dimethylpyrazine-2,3-diamine

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC=C1)N2CCC3(CC2)C4=CC(=C(C=C4CCO3)OC)OC

DOS

IR

Vibrations