Geometry & MOs

Info

ID:	296227
PubChem CID:	117561632
Reduced:	N5C13H21 (1)
Stoich.:	A5B13C21 (1)
Weight, g/mol:	269.107674
ΔH_f, kcal/mol:	18.5
Dipole, Da:	3.11
IP(EA), eV:	-8.28(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-fluoroanilino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carbonitrile

Drug info:

PubChemData

Smile

CCNC1=NC(=NC2=C1CNCC2)N3CCCC3

DOS

IR

Vibrations