Geometry & MOs

Info

ID:	266541
PubChem CID:	103570000
Reduced:	N3O4C13H21 (1)
Stoich.:	A3B4C13D21 (1)
Weight, g/mol:	405.168856
ΔH_f, kcal/mol:	-176.59
Dipole, Da:	7.85
IP(EA), eV:	-9.86(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-ethylpyrazol-4-yl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)[C@@H](CC(=O)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations