Geometry & MOs

Info

ID:	158927
PubChem CID:	57244217
Reduced:	N4O8C19H20 (1)
Stoich.:	A4B8C19D20 (1)
Weight, g/mol:	340.178693
ΔH_f, kcal/mol:	-299.01
Dipole, Da:	5.0
IP(EA), eV:	-9.53(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetyl]-1H-pyrrol-2-yl]butanoate

Drug info:

PubChemData

Smile

CC1=NC=C(C(=O)N1CC(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations