Geometry & MOs

Info

ID:	15977
PubChem CID:	456971
Reduced:	Cl2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	351.126903
ΔH_f, kcal/mol:	22.86
Dipole, Da:	2.71
IP(EA), eV:	-8.28(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methyl]-4-methylpiperazine

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=C(C=C(C=C2)Cl)Cl)C)CN3CCN(CC3)C

DOS

IR

Vibrations