Geometry & MOs

Info

ID:	364023
PubChem CID:	127313694
Reduced:	OSN5C15H17 (1)
Stoich.:	ABC5D15E17 (1)
Weight, g/mol:	317.185175
ΔH_f, kcal/mol:	21.62
Dipole, Da:	5.82
IP(EA), eV:	-8.93(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SCC(=O)N2CCC3=CN=CN=C3C2)C

DOS

IR

Vibrations