Geometry & MOs

Info

ID:	29133
PubChem CID:	831815
Reduced:	SN2O3C16H24 (1)
Stoich.:	AB2C3D16E24 (1)
Weight, g/mol:	290.101505
ΔH_f, kcal/mol:	-119.48
Dipole, Da:	2.6
IP(EA), eV:	-9.26(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-(2-methoxy-5-nitrophenyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCCCCC1)N(C2=CC=CC=C2)S(=O)(=O)C

DOS

IR

Vibrations