Geometry & MOs

Info

ID:	378196
PubChem CID:	134224272
Reduced:	O3N7H19C21 (1)
Stoich.:	A3B7C19D21 (1)
Weight, g/mol:	418.175339
ΔH_f, kcal/mol:	-12.21
Dipole, Da:	4.47
IP(EA), eV:	-8.54(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[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=C2)NC3=CC4=C(C=C3)NC(=O)N4

DOS

IR

Vibrations