Geometry & MOs

Info

ID:	333374
PubChem CID:	127251926
Reduced:	O2N5C26H35 (1)
Stoich.:	A2B5C26D35 (1)
Weight, g/mol:	407.268511
ΔH_f, kcal/mol:	-48.65
Dipole, Da:	4.91
IP(EA), eV:	-8.76(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3-cyclopentyloxyphenyl)methyl]-N-methyl-2-pyrrolidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CCN(C3)CC4=CC(=CC=C4)OC5CCCC5)C(=N2)NC

DOS

IR

Vibrations