Geometry & MOs

Info

ID:	333293
PubChem CID:	127251845
Reduced:	O3N5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	437.24269
ΔH_f, kcal/mol:	-89.85
Dipole, Da:	5.32
IP(EA), eV:	-9.29(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(=O)N2CCC3=C(C2)C(=NC(=N3)C4CCN(C4)C(=O)C)NC

DOS

IR

Vibrations