Geometry & MOs

Info

ID:	333343
PubChem CID:	127251895
Reduced:	O2N6C21H28 (1)
Stoich.:	A2B6C21D28 (1)
Weight, g/mol:	384.207388
ΔH_f, kcal/mol:	-24.74
Dipole, Da:	1.94
IP(EA), eV:	-8.46(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluorophenyl)-2-[4-(methylamino)-2-pyrrolidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CCN(C2)CC(=O)NC3=CC=C(C=C3)OC)C4CCNC4

DOS

IR

Vibrations