Geometry & MOs

Info

ID:	197986
PubChem CID:	79026348
Reduced:	N2O4C9H18 (1)
Stoich.:	A2B4C9D18 (1)
Weight, g/mol:	259.095691
ΔH_f, kcal/mol:	-203.55
Dipole, Da:	4.95
IP(EA), eV:	-9.88(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)NCC(C)(CC(=O)O)O)N

DOS

IR

Vibrations