Geometry & MOs

Info

ID:	145420
PubChem CID:	53521726
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	312.104482
ΔH_f, kcal/mol:	-30.35
Dipole, Da:	5.48
IP(EA), eV:	-9.14(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]-2,3-dihydro-1,4-benzoxazine

Drug info:

PubChemData

Smile

CC(C)N(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations