Geometry & MOs

Info

ID:	25321
PubChem CID:	622915
Reduced:	N2O3C16H16 (1)
Stoich.:	A2B3C16D16 (1)
Weight, g/mol:	315.083076
ΔH_f, kcal/mol:	-11.45
Dipole, Da:	5.18
IP(EA), eV:	-9.22(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)NC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations