Geometry & MOs

Info

ID:	302521
PubChem CID:	124365641
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-131.61
Dipole, Da:	5.14
IP(EA), eV:	-9.28(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-(2,5-dimethoxyphenyl)ethanol

Drug info:

PubChemData

Smile

CCCN1C(=O)[C@H](NC1=O)CCC(=O)N[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2C4=CC=CC=C4

DOS

IR

Vibrations