Geometry & MOs

Info

ID:	178920
PubChem CID:	76401207
Reduced:	O3N6C29H40 (1)
Stoich.:	A3B6C29D40 (1)
Weight, g/mol:	537.311518
ΔH_f, kcal/mol:	-72.79
Dipole, Da:	4.07
IP(EA), eV:	-7.99(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-fluorophenyl)methyl]-2-(2-oxo-8-piperazin-1-yl-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6(11),7,9-trien-17-yl)acetamide

Drug info:

PubChemData

Smile

C1CC2CN(CCC2CC(=O)NCC3=CC=NC=C3)C(=O)CNCC4=C(C=CC(=C4)N5CCNCC5)OC1

DOS

IR

Vibrations