Geometry & MOs

Info

ID:	315755
PubChem CID:	126628677
Reduced:	BrN3O3H16C18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	362.149124
ΔH_f, kcal/mol:	-40.42
Dipole, Da:	8.43
IP(EA), eV:	-9.05(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-aminopyrazol-1-yl)-3-[(4-methoxy-2-methylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)CN2C=NC3=C(C2=O)C=CN=C3C(=O)CBr

DOS

IR

Vibrations