Geometry & MOs

Info

ID:	436901
PubChem CID:	135212758
Reduced:	ON2C21H28 (1)
Stoich.:	AB2C21D28 (1)
Weight, g/mol:	456.216141
ΔH_f, kcal/mol:	-14.17
Dipole, Da:	1.31
IP(EA), eV:	-7.56(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S,8S,9S)-9-(methoxymethyl)-8-[4-(3-methylphenyl)phenyl]-4-(pyrazine-2-carbonyl)-1,4-diazabicyclo[5.2.0]nonan-2-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)N(C)C)C(C)C

DOS

IR

Vibrations