Geometry & MOs

Info

ID:	59449
PubChem CID:	24874880
Reduced:	O3N8C23H24 (1)
Stoich.:	A3B8C23D24 (1)
Weight, g/mol:	496.247441
ΔH_f, kcal/mol:	29.86
Dipole, Da:	4.59
IP(EA), eV:	-8.76(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3-[[(4-methylpyridin-2-yl)amino]methyl]pyrrol-1-yl]phenyl]-2-[(2,4,6-trimethylbenzoyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)N2CCN(CC2)C(=O)C(=O)C3=CNC4=C3C(=CN=C4N5C=NC(=N5)C)OC

DOS

IR

Vibrations