Geometry & MOs

Info

ID:	202979
PubChem CID:	79755846
Reduced:	F2O2N4H12C13 (1)
Stoich.:	A2B2C4D12E13 (1)
Weight, g/mol:	287.199762
ΔH_f, kcal/mol:	-49.39
Dipole, Da:	5.97
IP(EA), eV:	-9.68(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxolan-2-yl)-3-(1-propylbenzimidazol-2-yl)propan-2-amine

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NC(=N1)C2=C(C=CC(=C2F)[N+](=O)[O-])F)N

DOS

IR

Vibrations