Geometry & MOs

Info

ID:	49917
PubChem CID:	11538096
Reduced:	O3N5H19C20 (1)
Stoich.:	A3B5C19D20 (1)
Weight, g/mol:	377.160263
ΔH_f, kcal/mol:	-6.15
Dipole, Da:	7.1
IP(EA), eV:	-7.8(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-cyclopropyl-1-methyl-5-[3-(trifluoromethoxy)phenyl]-1,3,4,6-tetrahydro-2,5-benzoxazocine

Drug info:

PubChemData

Smile

CC1=NC2=C(C=NN2C(=C1C3=CC=CNC3=O)N)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations