Geometry & MOs

Info

ID:	417654
PubChem CID:	135102394
Reduced:	ClO2N3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-76.09
Dipole, Da:	5.16
IP(EA), eV:	-8.38(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]azetidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CNC(=O)C1CCN(C1)C(=O)C2=CC(=C(C=C2)N3CCCC3)Cl

DOS

IR

Vibrations