Geometry & MOs

Info

ID:	309187
PubChem CID:	126539747
Reduced:	O2N3C24H33 (1)
Stoich.:	A2B3C24D33 (1)
Weight, g/mol:	427.262363
ΔH_f, kcal/mol:	-36.89
Dipole, Da:	1.92
IP(EA), eV:	-8.18(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-2-phenylmethoxyaniline

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NCC2(CCOCC2)N3CCN(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations