Geometry & MOs

Info

ID:	333248
PubChem CID:	127251797
Reduced:	O4N5C23H27 (1)
Stoich.:	A4B5C23D27 (1)
Weight, g/mol:	409.21139
ΔH_f, kcal/mol:	-109.66
Dipole, Da:	7.8
IP(EA), eV:	-9.1(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CN(CC3)C(=O)C4=CC5=C(C=C4)OCCO5)C(=N2)NC

DOS

IR

Vibrations