Geometry & MOs

Info

ID:	124590
PubChem CID:	50888513
Reduced:	O4N5H19C20 (1)
Stoich.:	A4B5C19D20 (1)
Weight, g/mol:	355.108754
ΔH_f, kcal/mol:	27.39
Dipole, Da:	3.16
IP(EA), eV:	-9.32(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-aminophenyl)methyl 2-chloro-5-(3,5-dimethylpyrazol-1-yl)benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N2C(=C(C(=N2)C)N=NC3=CC(=CC=C3)[N+](=O)[O-])C

DOS

IR

Vibrations