Geometry & MOs

Info

ID:	291703
PubChem CID:	113460127
Reduced:	ClFNH11C16 (1)
Stoich.:	ABCD11E16 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	13.21
Dipole, Da:	2.42
IP(EA), eV:	-9.33(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-aminopropyl)-5-methyl-6-phenyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(C(=CC=C2)F)N=C1C3=CC=CC=C3)Cl

DOS

IR

Vibrations