Geometry & MOs

Info

ID:	345350
PubChem CID:	127269650
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	-135.9
Dipole, Da:	3.48
IP(EA), eV:	-8.43(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-chromen-6-yl)-3-[(2-methylpyrimidin-4-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CNC(=O)NC2=CC3=C(C=C2)OCCC3

DOS

IR

Vibrations