Geometry & MOs

Info

ID:	442829
PubChem CID:	135256453
Reduced:	ON6C29H38 (1)
Stoich.:	AB6C29D38 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	56.25
Dipole, Da:	5.58
IP(EA), eV:	-8.22(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1H-benzimidazol-2-yl)ethylamino]-2,2-dimethylpropan-1-ol

Drug info:

PubChemData

Smile

C/C=C(\C=C(\C)/C=C)/C1=NC(=NC(=C1)/C(=C/NCC2=NC(=CC=C2)N3CCCC3)/C)NC4CCOC4

DOS

IR

Vibrations