Geometry & MOs

Info

ID:	195577
PubChem CID:	78704285
Reduced:	OSN3C19H31 (1)
Stoich.:	ABC3D19E31 (1)
Weight, g/mol:	356.173607
ΔH_f, kcal/mol:	-41.33
Dipole, Da:	5.4
IP(EA), eV:	-8.38(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate

Drug info:

PubChemData

Smile

CC(C)CN1CCOC(C1)CNC(=S)NC2=CC=C(C=C2)C(C)C

DOS

IR

Vibrations