Geometry & MOs

Info

ID:	80732
PubChem CID:	49836473
Reduced:	N3O6C18H19 (1)
Stoich.:	A3B6C18D19 (1)
Weight, g/mol:	336.087685
ΔH_f, kcal/mol:	-90.91
Dipole, Da:	7.39
IP(EA), eV:	-10.14(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4Z)-1-(2-chlorophenyl)-4-(1-ethoxyethylidene)-5-oxopyrazol-3-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NOC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCCCC3

DOS

IR

Vibrations