Geometry & MOs

Info

ID:	244978
PubChem CID:	99431923
Reduced:	N2O5C23H24 (1)
Stoich.:	A2B5C23D24 (1)
Weight, g/mol:	459.190654
ΔH_f, kcal/mol:	-168.26
Dipole, Da:	5.37
IP(EA), eV:	-8.89(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)O)C(=O)N2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

DOS

IR

Vibrations