Geometry & MOs

Info

ID:	183764
PubChem CID:	77065944
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	3.44
Dipole, Da:	5.53
IP(EA), eV:	-8.55(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-cycloheptyl-5-propan-2-ylidenepyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(N(C=N1)CC2=CC(=C(C=C2)OC)C(=NO)N)C

DOS

IR

Vibrations