Geometry & MOs

Info

ID:	333307
PubChem CID:	127251859
Reduced:	O3N5C25H31 (1)
Stoich.:	A3B5C25D31 (1)
Weight, g/mol:	423.22704
ΔH_f, kcal/mol:	-94.71
Dipole, Da:	7.99
IP(EA), eV:	-8.82(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CN(CC3)C(=O)CC4=CC5=C(C=C4)OCCC5)C(=N2)NC

DOS

IR

Vibrations