Geometry & MOs

Info

ID:	322256
PubChem CID:	126669546
Reduced:	NO7C15H19 (1)
Stoich.:	AB7C15D19 (1)
Weight, g/mol:	275.107692
ΔH_f, kcal/mol:	-213.52
Dipole, Da:	6.54
IP(EA), eV:	-9.05(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[(4-chlorophenyl)methyl]-6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)C(C[N+](=O)[O-])C(C(=O)OC)C(=O)OC

DOS

IR

Vibrations