Geometry & MOs

Info

ID:	354586
PubChem CID:	127287200
Reduced:	ON5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	384.190989
ΔH_f, kcal/mol:	29.24
Dipole, Da:	5.32
IP(EA), eV:	-8.31(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]urea

Drug info:

PubChemData

Smile

C[C@H](C1=NN=C2N1CCCCC2)NC(=O)NC3=CC4=C(C=C3)C5=CC=CC=C5C4

DOS

IR

Vibrations