Geometry & MOs

Info

ID:	437989
PubChem CID:	135227442
Reduced:	N3O3H23C26 (1)
Stoich.:	A3B3C23D26 (1)
Weight, g/mol:	473.156241
ΔH_f, kcal/mol:	4.3
Dipole, Da:	4.74
IP(EA), eV:	-8.82(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-methyl-2-propan-2-yloxy-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethyl)-4H-1,3-benzoxazin-2-one

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)C2=CC(=CC=C2)OC3=CC=CC=C3)OC=O)NCC4=NC=CC=N4

DOS

IR

Vibrations