Geometry & MOs

Info

ID:	333276
PubChem CID:	127251828
Reduced:	O3N6C21H26 (1)
Stoich.:	A3B6C21D26 (1)
Weight, g/mol:	448.29506
ΔH_f, kcal/mol:	-20.46
Dipole, Da:	6.39
IP(EA), eV:	-9.4(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[6-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-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=NOC(=C4)C5CC5)NC

DOS

IR

Vibrations