Geometry & MOs

Info

ID:	444669
PubChem CID:	135263175
Reduced:	N3O4C28H29 (1)
Stoich.:	A3B4C28D29 (1)
Weight, g/mol:	396.03347
ΔH_f, kcal/mol:	-97.44
Dipole, Da:	3.5
IP(EA), eV:	-8.89(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclobutyloxy-6-iodo-2-methyl-5-phenylmethoxypyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=CC=C2)NC(=O)CC3=CC4=C(C=C3)NC(=O)CO4)N5CCOCC5

DOS

IR

Vibrations