Geometry & MOs

Info

ID:	333239
PubChem CID:	127251788
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	409.21139
ΔH_f, kcal/mol:	-34.42
Dipole, Da:	5.06
IP(EA), eV:	-9.36(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[6-(3-methoxybenzoyl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)C(=NC(=N2)C3CCN(C3)C(=O)C4=CC=CC=C4)NC

DOS

IR

Vibrations