Geometry & MOs

Info

ID:	216304
PubChem CID:	85086019
Reduced:	N2O2C5H6 (2)
Stoich.:	A2B2C5D6 (2)
Weight, g/mol:	252.111007
ΔH_f, kcal/mol:	-122.94
Dipole, Da:	2.31
IP(EA), eV:	-8.8(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(5-acetyl-1-methylpyrrol-2-yl)acetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1=CN=C2C(=C1N)N=CN2CC(C(C(=O)O)O)O

DOS

IR

Vibrations