Geometry & MOs

Info

ID:	84043
PubChem CID:	49863726
Reduced:	NO3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	504.310041
ΔH_f, kcal/mol:	-82.08
Dipole, Da:	3.17
IP(EA), eV:	-8.78(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(2,3-dimethoxyphenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1-propylpyrrole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CNC(=O)/C=C/C=C/C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations