Geometry & MOs

Info

ID:	156938
PubChem CID:	56394916
Reduced:	FO2N5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	422.170253
ΔH_f, kcal/mol:	-3.48
Dipole, Da:	6.59
IP(EA), eV:	-8.96(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)C3(CCC3)C4=CC=C(C=C4)F)OC

DOS

IR

Vibrations