Geometry & MOs

Info

ID:	414417
PubChem CID:	135087375
Reduced:	ON3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	-0.81
Dipole, Da:	4.67
IP(EA), eV:	-8.73(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCNC1=NC=C(C=C1)C(=O)N(C)C)C2=CC=CC=C2

DOS

IR

Vibrations