Geometry & MOs

Info

ID:	253228
PubChem CID:	103116935
Reduced:	O3N4C11H12 (1)
Stoich.:	A3B4C11D12 (1)
Weight, g/mol:	251.126991
ΔH_f, kcal/mol:	-57.0
Dipole, Da:	3.03
IP(EA), eV:	-9.78(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1-methylpyrazole-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@H](C(=O)O)NC(=O)C1=C2C=NC=CN2N=C1

DOS

IR

Vibrations