Geometry & MOs

Info

ID:	356131
PubChem CID:	127291167
Reduced:	O3N4C17H30 (1)
Stoich.:	A3B4C17D30 (1)
Weight, g/mol:	330.169191
ΔH_f, kcal/mol:	-151.82
Dipole, Da:	1.79
IP(EA), eV:	-8.86(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-(oxan-3-yl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)NC3CCCOC3

DOS

IR

Vibrations