Geometry & MOs

Info

ID:	176810
PubChem CID:	76101802
Reduced:	ClNOF6H29C30 (1)
Stoich.:	ABCD6E29F30 (1)
Weight, g/mol:	282.100442
ΔH_f, kcal/mol:	-272.46
Dipole, Da:	4.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756095
Charge, e:	0

Chem-info

IUPAC name:

1H-benzimidazol-2-ylmethyl 2-hydroxy-2-phenylacetate

Drug info:

PubChemData

Smile

C[N+]12CCC(CC1)C(C2(C(C3=CC=CC=C3)C4=CC=CC=C4)Cl)OCC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations