Geometry & MOs

Info

ID:	170133
PubChem CID:	75202290
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	517.199505
ΔH_f, kcal/mol:	22.13
Dipole, Da:	3.0
IP(EA), eV:	-8.14(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methoxy-4-[5-[[(2S)-4-methylsulfonylmorpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]phenoxy]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

C1CN(CC2=C1C3=CC=CC=C3N2)CCCCCC4=N/C(=C/NO)/C(=O)C=C4

DOS

IR

Vibrations