Geometry & MOs

Info

ID:	364038
PubChem CID:	127313709
Reduced:	O2N3C20H21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	328.164774
ΔH_f, kcal/mol:	-32.0
Dipole, Da:	4.49
IP(EA), eV:	-9.49(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations