Geometry & MOs

Info

ID:	210329
PubChem CID:	80789615
Reduced:	BrN5C13H22 (1)
Stoich.:	AB5C13D22 (1)
Weight, g/mol:	265.153875
ΔH_f, kcal/mol:	17.61
Dipole, Da:	3.84
IP(EA), eV:	-8.6(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-nitropyridine-2,6-diamine

Drug info:

PubChemData

Smile

CCNC1=NC=C(C(=N1)NCC2CCN(C2)CC)Br

DOS

IR

Vibrations