Geometry & MOs

Info

ID:	252313
PubChem CID:	103110502
Reduced:	SN2O2C11H16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	272.116092
ΔH_f, kcal/mol:	-50.11
Dipole, Da:	2.49
IP(EA), eV:	-8.35(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-1-[(2-methyl-3-nitrophenyl)methyl]pyrrole-3-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNS(=O)(=O)C2CC2

DOS

IR

Vibrations