Geometry & MOs

Info

ID:	306012
PubChem CID:	125000123
Reduced:	ON5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	347.165207
ΔH_f, kcal/mol:	15.75
Dipole, Da:	6.74
IP(EA), eV:	-9.13(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,5S,6S,8R,10S)-5-(2-chlorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)[C@@H]2CCN(C2)C(=O)CCN3C=CC(=N3)C

DOS

IR

Vibrations