Geometry & MOs

Info

ID:	433035
PubChem CID:	135173172
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	480.26376
ΔH_f, kcal/mol:	-174.16
Dipole, Da:	0.54
IP(EA), eV:	-8.59(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-7-[2-[(1R,6R,7S)-7-methyl-3,10-diazabicyclo[4.3.1]decan-10-yl]pyrimidin-5-yl]-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole

Drug info:

PubChemData

Smile

CC1(OCC(O1)COC(=O)CC2=CC=CC=C2N)C

DOS

IR

Vibrations