Geometry & MOs

Info

ID:	80983
PubChem CID:	49854211
Reduced:	N3O4H21C23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	313.251798
ΔH_f, kcal/mol:	-110.48
Dipole, Da:	6.07
IP(EA), eV:	-9.19(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-[4-(4-ethyl-2-methylpiperazin-1-yl)phenyl]-3-azabicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3)C(=O)NC(=O)N2C4=CC=CC=C4)C

DOS

IR

Vibrations