Geometry & MOs

Info

ID:	433578
PubChem CID:	135173718
Reduced:	ClO2N5H28C32 (1)
Stoich.:	AB2C5D28E32 (1)
Weight, g/mol:	243.231063
ΔH_f, kcal/mol:	52.25
Dipole, Da:	4.84
IP(EA), eV:	-8.23(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]propan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=CC3=CC(=CN=C32)C=C)C4=C(C(=CC=C4)NC(=O)C5=NC=C(C=C5)C(C)OC)Cl

DOS

IR

Vibrations