Geometry & MOs

Info

ID:	85721
PubChem CID:	49878496
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	-95.16
Dipole, Da:	3.92
IP(EA), eV:	-9.46(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-yl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C2(CCCCC2)OC1=O)C(=O)NC3=CN=CC=C3

DOS

IR

Vibrations