Geometry & MOs

Info

ID:	294810
PubChem CID:	117497574
Reduced:	BrNSC14H18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	312.111007
ΔH_f, kcal/mol:	33.95
Dipole, Da:	2.52
IP(EA), eV:	-8.52(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,7-dimethoxynaphthalen-1-yl)-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CSCCC1C2=C(C=C(C=C2)C3(CC3)N)Br

DOS

IR

Vibrations