Geometry & MOs

Info

ID:	333372
PubChem CID:	127251924
Reduced:	O3N5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	437.24269
ΔH_f, kcal/mol:	-88.83
Dipole, Da:	7.05
IP(EA), eV:	-9.24(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(=O)N2CCC(C2)C3=NC4=C(CCN(C4)C(=O)C)C(=N3)NC

DOS

IR

Vibrations