Geometry & MOs

Info

ID:	322439
PubChem CID:	126670160
Reduced:	F3N3O4C18H18 (1)
Stoich.:	A3B3C4D18E18 (1)
Weight, g/mol:	358.181191
ΔH_f, kcal/mol:	-283.34
Dipole, Da:	7.96
IP(EA), eV:	-8.88(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[(4-chlorophenyl)methyl]-6,7-bis(ethenyl)-4-piperidin-4-yl-3,5-dihydro-2H-1,4-oxazepine

Drug info:

PubChemData

Smile

CC[C@@H]1C(N(C(=O)N1)C2=CN=C(C=C2)OC3=CC(=C(C=C3)C)OC(F)(F)F)O

DOS

IR

Vibrations