Geometry & MOs

Info

ID:	145419
PubChem CID:	53521517
Reduced:	FO2N4C18H25 (1)
Stoich.:	AB2C4D18E25 (1)
Weight, g/mol:	336.158626
ΔH_f, kcal/mol:	-46.6
Dipole, Da:	2.02
IP(EA), eV:	-8.65(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-oxo-1H-quinazolin-2-yl)methyl]-3-phenyl-1-propan-2-ylurea

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)CC3=CC(=C(C=C3)OC)F

DOS

IR

Vibrations