Geometry & MOs

Info

ID:	28636
PubChem CID:	828715
Reduced:	O2N3H15C19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	270.184447
ΔH_f, kcal/mol:	25.71
Dipole, Da:	1.85
IP(EA), eV:	-8.45(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-methylpyrrol-2-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations