Geometry & MOs

Info

ID:	364048
PubChem CID:	127313719
Reduced:	ClO2N4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	-27.94
Dipole, Da:	5.23
IP(EA), eV:	-8.88(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl-[1-(4-methoxyphenyl)cyclopentyl]methanone

Drug info:

PubChemData

Smile

C1CN(C(=O)C1C(=O)N2CCC3=CN=CN=C3C2)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations