Geometry & MOs

Info

ID:	378320
PubChem CID:	134224397
Reduced:	F3O3N6H21C23 (1)
Stoich.:	A3B3C6D21E23 (1)
Weight, g/mol:	452.136366
ΔH_f, kcal/mol:	-171.16
Dipole, Da:	5.74
IP(EA), eV:	-8.41(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[5-chloro-2-(3,4-dihydro-2H-1,4-benzoxazin-7-ylamino)pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)C1=CC=CC=C1NC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NCCO4

DOS

IR

Vibrations