Geometry & MOs

Info

ID:	31744
PubChem CID:	3288095
Reduced:	OCl2N2C23H24 (1)
Stoich.:	AB2C2D23E24 (1)
Weight, g/mol:	378.210742
ΔH_f, kcal/mol:	0.79
Dipole, Da:	4.56
IP(EA), eV:	-8.82(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-2-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CCCCN(CC1=CC=CN1CC2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations