Geometry & MOs

Info

ID:	422790
PubChem CID:	135118414
Reduced:	ClON4C21H25 (1)
Stoich.:	ABC4D21E25 (1)
Weight, g/mol:	302.163043
ΔH_f, kcal/mol:	4.29
Dipole, Da:	2.65
IP(EA), eV:	-9.22(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-(2,6-dimethylbenzoyl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CN1C[C@@H]2C[C@@H](C[C@@H]2CC1=O)N(C)CC3=CN=C(N=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations