Geometry & MOs

Info

ID:	140846
PubChem CID:	52768606
Reduced:	ClO4N6H17C21 (1)
Stoich.:	AB4C6D17E21 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-55.57
Dipole, Da:	6.27
IP(EA), eV:	-9.39(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butylpyrimidin-5-yl)-3-[(4S)-3,4-dihydro-2H-chromen-4-yl]urea

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)NCC(=O)NC2=CC=CC3=C2C(=O)NNC3=O)Cl)C4=CC=CC=C4

DOS

IR

Vibrations