Geometry & MOs

Info

ID:	415369
PubChem CID:	135088363
Reduced:	O4N5C32H45 (1)
Stoich.:	A4B5C32D45 (1)
Weight, g/mol:	331.262363
ΔH_f, kcal/mol:	-140.02
Dipole, Da:	5.08
IP(EA), eV:	-8.98(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-[2-[2-[(2-methylpyrrolidin-1-yl)methyl]phenoxy]ethyl]piperazine

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCCN(CCCCNC(=O)[C@@H]2C[C@H]1CN2C(=O)COC)CC3=CC=C(C=C3)C4=CC=CC=N4

DOS

IR

Vibrations