Geometry & MOs

Info

ID:	433602
PubChem CID:	135173742
Reduced:	NO5C14H31 (1)
Stoich.:	AB5C14D31 (1)
Weight, g/mol:	625.327757
ΔH_f, kcal/mol:	-228.96
Dipole, Da:	2.14
IP(EA), eV:	-9.01(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]anilino]pyrido[3,2-d]pyrimidin-7-yl]methylamino]ethanol

Drug info:

PubChemData

Smile

CC(C)OCCOCCOCCOCCOCCNC

DOS

IR

Vibrations