Geometry & MOs

Info

ID:	210553
PubChem CID:	80822428
Reduced:	N5C12H15 (1)
Stoich.:	A5B12C15 (1)
Weight, g/mol:	286.10659
ΔH_f, kcal/mol:	53.84
Dipole, Da:	4.77
IP(EA), eV:	-8.51(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(2,3-dihydro-1-benzofuran-3-yl)-6-N-methyl-3-nitropyridine-2,6-diamine

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CNC2=NC(=NC=C2C)N

DOS

IR

Vibrations