Geometry & MOs

Info

ID:	365367
PubChem CID:	127317766
Reduced:	NOC6H9 (3)
Stoich.:	ABC6D9 (3)
Weight, g/mol:	305.137556
ΔH_f, kcal/mol:	-116.54
Dipole, Da:	5.33
IP(EA), eV:	-8.58(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-methyloxolan-3-yl)methyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea

Drug info:

PubChemData

Smile

CC1(CCOC1)CNC(=O)NC2=CC=CC=C2CN3CCOCC3

DOS

IR

Vibrations