Geometry & MOs

Info

ID:	415413
PubChem CID:	135088407
Reduced:	ClN2O2C19H27 (1)
Stoich.:	AB2C2D19E27 (1)
Weight, g/mol:	346.225643
ΔH_f, kcal/mol:	-89.61
Dipole, Da:	6.53
IP(EA), eV:	-8.84(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-hydroxy-3-methylbutyl)phenyl]-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)CN(C)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2)Cl

DOS

IR

Vibrations