Geometry & MOs

Info

ID:	305775
PubChem CID:	124968856
Reduced:	O2N5C18H25 (1)
Stoich.:	A2B5C18D25 (1)
Weight, g/mol:	313.204179
ΔH_f, kcal/mol:	-32.37
Dipole, Da:	1.76
IP(EA), eV:	-8.84(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]benzamide

Drug info:

PubChemData

Smile

CNC(=O)[C@H]1CN(CCN(C1)C(=O)CCN2C3=CC=CC=C3C=N2)C

DOS

IR

Vibrations