Geometry & MOs

Info

ID:	172461
PubChem CID:	75512814
Reduced:	FN2O3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	344.94189
ΔH_f, kcal/mol:	-189.19
Dipole, Da:	6.02
IP(EA), eV:	-9.26(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-bromo-3-nitropyrazol-1-yl)methyl]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)CCNC(=O)NC2CCC3(CC2)OCCO3

DOS

IR

Vibrations