Geometry & MOs

Info

ID:	307164
PubChem CID:	125275565
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	313.19026
ΔH_f, kcal/mol:	-29.39
Dipole, Da:	2.66
IP(EA), eV:	-9.15(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxo-6-propyl-5H-pyrimidin-2-yl)-1-(4-propan-2-ylphenyl)guanidine

Drug info:

PubChemData

Smile

CC(C)[C@H]1C(=O)N=C(C=N1)CC2=CC=C(C=C2)O

DOS

IR

Vibrations