Geometry & MOs

Info

ID:	322247
PubChem CID:	126669535
Reduced:	ClN3O4H22C23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	458.233621
ΔH_f, kcal/mol:	-101.41
Dipole, Da:	8.53
IP(EA), eV:	-8.6(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(3S)-3-[(4-chlorophenyl)methyl]-6,7-bis(ethenyl)-3,5-dihydro-2H-1,4-oxazepin-4-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)Cl)NC(=O)NCC2=CC=CC=C2OC3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations