Geometry & MOs

Info

ID:	16305
PubChem CID:	463885
Reduced:	N5C18H33 (1)
Stoich.:	A5B18C33 (1)
Weight, g/mol:	319.273596
ΔH_f, kcal/mol:	12.88
Dipole, Da:	2.16
IP(EA), eV:	-8.07(1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2,5-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyrrol-3-yl]methyl]-4-methylpiperazine

Drug info:

PubChemData

Smile

CC1=C(C(=C(N1)C)CN2CCN(CC2)C)CN3CCN(CC3)C

DOS

IR

Vibrations