Geometry & MOs

Info

ID:	416683
PubChem CID:	135090053
Reduced:	O2N4H26C27 (1)
Stoich.:	A2B4C26D27 (1)
Weight, g/mol:	341.210327
ΔH_f, kcal/mol:	14.7
Dipole, Da:	2.86
IP(EA), eV:	-8.97(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(dimethylamino)naphthalen-1-yl]-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1C(=O)C2=CC=C(C=C2)NCC3=CC=NC=C3)O)CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations