Geometry & MOs

Info

ID:	378315
PubChem CID:	134224392
Reduced:	NOC13H21 (1)
Stoich.:	ABC13D21 (1)
Weight, g/mol:	452.136366
ΔH_f, kcal/mol:	-3.7
Dipole, Da:	2.04
IP(EA), eV:	-8.67(1.08)
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-6-ylamino)pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide

Drug info:

PubChemData

Smile

C[C@@H]1C2C(C=C2C)C(=C)C(OCCN1)C

DOS

IR

Vibrations