Geometry & MOs

Info

ID:	331444
PubChem CID:	127248851
Reduced:	FO2N6C22H23 (1)
Stoich.:	AB2C6D22E23 (1)
Weight, g/mol:	434.206639
ΔH_f, kcal/mol:	-32.79
Dipole, Da:	1.82
IP(EA), eV:	-8.74(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-aminopyridin-3-yl)-[2-[2-(dimethylamino)-5-(3-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)C(=O)C3=C(N=CC=C3)N)C4=CC=C(C=C4)F

DOS

IR

Vibrations