Geometry & MOs

Info

ID:	380515
PubChem CID:	134970986
Reduced:	ClON3H16C17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	357.194008
ΔH_f, kcal/mol:	26.3
Dipole, Da:	5.79
IP(EA), eV:	-8.81(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3,5-dimethyl-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CN(C=O)C1=CC2=C(C=C1)C3C(CC2)(N4C=CC=CC4=N3)Cl

DOS

IR

Vibrations