Geometry & MOs

Info

ID:	354226
PubChem CID:	127286190
Reduced:	O4N5C17H19 (1)
Stoich.:	A4B5C17D19 (1)
Weight, g/mol:	346.164105
ΔH_f, kcal/mol:	-86.86
Dipole, Da:	4.44
IP(EA), eV:	-8.58(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2CCN(CC2)C(=O)NC3=CC4=C(C=C3)NC(=O)CO4

DOS

IR

Vibrations