Geometry & MOs

Info

ID:	306204
PubChem CID:	125002620
Reduced:	O3N6C16H20 (1)
Stoich.:	A3B6C16D20 (1)
Weight, g/mol:	357.230394
ΔH_f, kcal/mol:	-51.12
Dipole, Da:	1.76
IP(EA), eV:	-9.59(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,5S,6S,8R,10S)-5-(3-hydroxyphenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]butanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(C[C@@H](C1)C(=O)NC)C(=O)C2=CC3=NNN=C3C=C2

DOS

IR

Vibrations