Geometry & MOs

Info

ID:	425568
PubChem CID:	135126741
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	325.215413
ΔH_f, kcal/mol:	-2.94
Dipole, Da:	7.24
IP(EA), eV:	-8.23(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]aniline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2CCN(CC2)CC3=C(C=CC(=C3)[N+](=O)[O-])OC

DOS

IR

Vibrations