Geometry & MOs

Info

ID:	401946
PubChem CID:	135053514
Reduced:	NOC18H21 (1)
Stoich.:	ABC18D21 (1)
Weight, g/mol:	289.11365
ΔH_f, kcal/mol:	22.92
Dipole, Da:	1.2
IP(EA), eV:	-7.92(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-ethylsulfanyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CN1C(=C2CCCC2=C1OC)C3CC3C4=CC=CC=C4

DOS

IR

Vibrations