Geometry & MOs

Info

ID:	179433
PubChem CID:	76482771
Reduced:	NC21H27 (1)
Stoich.:	AB21C27 (1)
Weight, g/mol:	488.20597
ΔH_f, kcal/mol:	22.76
Dipole, Da:	1.99
IP(EA), eV:	-8.66(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[2-(1,3-benzodioxol-5-yl)-3-(2-ethyl-1H-imidazol-5-yl)propanoyl]amino]propyl]indole-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2C(CCC3=CC=CC=C23)CCN(C)C

DOS

IR

Vibrations