Geometry & MOs

Info

ID:	195526
PubChem CID:	78695584
Reduced:	NO3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	419.184506
ΔH_f, kcal/mol:	-102.87
Dipole, Da:	4.54
IP(EA), eV:	-8.86(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(4-acetylanilino)-1-oxopropan-2-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)benzamide

Drug info:

PubChemData

Smile

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC2=CC=C(C=C2)C(=O)C

DOS

IR

Vibrations