Geometry & MOs

Info

ID:	426128
PubChem CID:	135140931
Reduced:	N3O5C11H13 (1)
Stoich.:	A3B5C11D13 (1)
Weight, g/mol:	458.231791
ΔH_f, kcal/mol:	-85.15
Dipole, Da:	6.32
IP(EA), eV:	-9.55(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methyl-2-[[4-(6-phenylmethoxypyridin-2-yl)piperidin-1-yl]methyl]benzimidazol-5-yl]methanediol

Drug info:

PubChemData

Smile

COC(=O)C1=NC(=C(C=C1)[N+](=O)[O-])NCC2CCO2

DOS

IR

Vibrations