Geometry & MOs

Info

ID:	345308
PubChem CID:	127269557
Reduced:	O3N4C17H24 (1)
Stoich.:	A3B4C17D24 (1)
Weight, g/mol:	387.190654
ΔH_f, kcal/mol:	-109.31
Dipole, Da:	4.17
IP(EA), eV:	-8.5(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)NC(=O)NC2=CC=CC=C2CN3CCOCC3

DOS

IR

Vibrations