Geometry & MOs

Info

ID:	81069
PubChem CID:	49854312
Reduced:	O4N5C25H25 (1)
Stoich.:	A4B5C25D25 (1)
Weight, g/mol:	415.187147
ΔH_f, kcal/mol:	-99.13
Dipole, Da:	6.59
IP(EA), eV:	-9.15(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(3-azabicyclo[3.1.0]hexan-1-yl)phenyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations