Geometry & MOs

Info

ID:	415744
PubChem CID:	135088744
Reduced:	SN7C16H19 (1)
Stoich.:	AB7C16D19 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	114.66
Dipole, Da:	4.93
IP(EA), eV:	-8.55(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxy-6-methylphenyl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone

Drug info:

PubChemData

Smile

CCN(C)C1=NC(=NC=C1)NCCC2=CSC(=N2)C3=NC=CC=N3

DOS

IR

Vibrations