Geometry & MOs

Info

ID:	29560
PubChem CID:	835251
Reduced:	NSC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	31.23
Dipole, Da:	4.13
IP(EA), eV:	-8.14(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-(5-methyl-1-phenylpyrazole-4-carbonyl)carbamate

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](NC2=CC=CC=C2S1)C3=CC=C(C=C3)C

DOS

IR

Vibrations