Geometry & MOs

Info

ID:	375596
PubChem CID:	134214066
Reduced:	FOS2N7H20C22 (1)
Stoich.:	ABC2D7E20F22 (1)
Weight, g/mol:	348.169859
ΔH_f, kcal/mol:	30.06
Dipole, Da:	5.12
IP(EA), eV:	-8.35(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)ethyl]-6-(6-methylpyridin-3-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=NC(=S)/C(=C/2\C=C(N=CN2)NCCC3=C4C(=CC=C3)C(=C(C=N4)F)C(=O)NC)/C(=S)N1

DOS

IR

Vibrations