Geometry & MOs

Info

ID:	433916
PubChem CID:	135174063
Reduced:	PN2O3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	630.18551
ΔH_f, kcal/mol:	-117.36
Dipole, Da:	4.74
IP(EA), eV:	-8.91(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-N-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C[C@H](CN)OCP(NCCCOCC1=CC=CC=C1)OC2=CC=CC=C2

DOS

IR

Vibrations