Geometry & MOs

Info

ID:	127962
PubChem CID:	51025030
Reduced:	NOC18H25 (1)
Stoich.:	ABC18D25 (1)
Weight, g/mol:	195.125929
ΔH_f, kcal/mol:	-49.05
Dipole, Da:	3.91
IP(EA), eV:	-8.64(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,6S,7S)-1,10,10-trimethyl-3-oxa-5-azatricyclo[5.2.1.02,6]decan-4-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1NC(=O)C[C@H]2C[C@@H]3CC[C@H]2C3

DOS

IR

Vibrations