Geometry & MOs

Info

ID:	311182
PubChem CID:	126589781
Reduced:	O2N3C33H41 (1)
Stoich.:	A2B3C33D41 (1)
Weight, g/mol:	366.194343
ΔH_f, kcal/mol:	-61.3
Dipole, Da:	6.97
IP(EA), eV:	-8.89(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,8S)-12-benzyl-5-cyclohexyl-4-oxa-5,12-diazatricyclo[6.3.1.02,7]dodec-10-ene-6,9-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2CCC3=C(C2)C=CC(=C3)C4=C(C(=C(N=C4C)C)CC(=O)O)N5CCC(CC5)(C)C

DOS

IR

Vibrations