Geometry & MOs

Info

ID:	364235
PubChem CID:	127314539
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	243.11201
ΔH_f, kcal/mol:	-26.91
Dipole, Da:	0.72
IP(EA), eV:	-9.4(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl-(2-methyl-1H-imidazol-5-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCC1O)C(C2=CC=CC=C2)C(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations