Geometry & MOs

Info

ID:	9810
PubChem CID:	93446
Reduced:	O5N6C11H14 (1)
Stoich.:	A5B6C11D14 (1)
Weight, g/mol:	310.102568
ΔH_f, kcal/mol:	-4.85
Dipole, Da:	4.61
IP(EA), eV:	-10.26(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis(2-methyl-5-nitroimidazol-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC1=NC=C(N1CC(CN2C(=NC=C2[N+](=O)[O-])C)O)[N+](=O)[O-]

DOS

IR

Vibrations