Geometry & MOs

Info

ID:	305821
PubChem CID:	124970797
Reduced:	ON5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	401.256609
ΔH_f, kcal/mol:	20.22
Dipole, Da:	4.01
IP(EA), eV:	-8.66(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CC[C@@H](C1)C2=CN3C(=CC=N3)C(=N2)N(C)C

DOS

IR

Vibrations