Geometry & MOs

Info

ID:	82071
PubChem CID:	49855559
Reduced:	N2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	619.225326
ΔH_f, kcal/mol:	41.73
Dipole, Da:	3.85
IP(EA), eV:	-8.34(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methoxyphenyl)methylamino]-N-[4-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)dibenzothiophen-1-yl]propanamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)CCN2C3=NC=NC4=C3C=CN4

DOS

IR

Vibrations