Geometry & MOs

Info

ID:	179106
PubChem CID:	76434990
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	322.149284
ΔH_f, kcal/mol:	-102.05
Dipole, Da:	4.18
IP(EA), eV:	-8.84(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2,3-difluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-2-hydroxyethanone

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(=O)N1)CN2CCOC(C2)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations