Geometry & MOs

Info

ID:	322248
PubChem CID:	126669536
Reduced:	ClN2O3C26H35 (1)
Stoich.:	AB2C3D26E35 (1)
Weight, g/mol:	275.107692
ΔH_f, kcal/mol:	-98.82
Dipole, Da:	2.61
IP(EA), eV:	-8.61(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)N2CC(=C(OC[C@@H]2CC3=CC=C(C=C3)Cl)C=C)C=C

DOS

IR

Vibrations