Geometry & MOs

Info

ID:	433798
PubChem CID:	135173940
Reduced:	N7O9C41H45 (1)
Stoich.:	A7B9C41D45 (1)
Weight, g/mol:	239.199762
ΔH_f, kcal/mol:	-218.34
Dipole, Da:	10.7
IP(EA), eV:	-8.97(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-3-[1-(4-methylpiperazin-1-yl)ethenyl]pyrrolidin-1-yl]ethanol

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCOCCOCCCN4C=C(C(=N4)C5=CC=NC=C5)C6=CC7=C(C=C6)/C(=N/O)/CC7

DOS

IR

Vibrations