Geometry & MOs

Info

ID:	73337
PubChem CID:	48417458
Reduced:	O3N6H10C12 (1)
Stoich.:	A3B6C10D12 (1)
Weight, g/mol:	362.114568
ΔH_f, kcal/mol:	51.19
Dipole, Da:	9.62
IP(EA), eV:	-9.34(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=C1)C(=O)N2C(=C(C=N2)C#N)N)[N+](=O)[O-]

DOS

IR

Vibrations