Geometry & MOs

Info

ID:	361672
PubChem CID:	127304009
Reduced:	ON3C10H13 (2)
Stoich.:	AB3C10D13 (2)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	-11.67
Dipole, Da:	6.75
IP(EA), eV:	-8.85(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)NCC(=O)N2CCC(CC2)C3=NN=CN3C4CC4

DOS

IR

Vibrations