Geometry & MOs

Info

ID:	191472
PubChem CID:	78150074
Reduced:	ON4C25H38 (1)
Stoich.:	AB4C25D38 (1)
Weight, g/mol:	411.252192
ΔH_f, kcal/mol:	-31.51
Dipole, Da:	3.5
IP(EA), eV:	-8.83(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-methyl-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(C(CC1CC2=NC3=C(N2)C=NC=C3)C(C)C)CNC4CCC(CC4)CO

DOS

IR

Vibrations