Geometry & MOs

Info

ID:	136045
PubChem CID:	51970297
Reduced:	N3O5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	275.199762
ΔH_f, kcal/mol:	-170.37
Dipole, Da:	6.52
IP(EA), eV:	-8.73(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[1-(3-ethoxypropyl)benzimidazol-2-yl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=C(C=C1)OCCO2)NC(=O)CN3C(=O)[C@@](NC3=O)(C)C4CC4

DOS

IR

Vibrations