Geometry & MOs

Info

ID:	287599
PubChem CID:	104248256
Reduced:	SN3O4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	266.090272
ΔH_f, kcal/mol:	-44.87
Dipole, Da:	6.04
IP(EA), eV:	-8.95(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3-hydroxypyrrolidin-1-yl)-4-nitrobenzoate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC2=C(C=CC(=C2)C(=O)OC)[N+](=O)[O-])C

DOS

IR

Vibrations