Geometry & MOs

Info

ID:	40927
PubChem CID:	8144967
Reduced:	N3O4H23C24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-57.58
Dipole, Da:	11.14
IP(EA), eV:	-8.89(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3)C5=CC6=C(C=C5)OCCCO6

DOS

IR

Vibrations