Geometry & MOs

Info

ID:	364122
PubChem CID:	127314261
Reduced:	ON3C8H13 (2)
Stoich.:	AB3C8D13 (2)
Weight, g/mol:	288.195011
ΔH_f, kcal/mol:	-34.2
Dipole, Da:	3.41
IP(EA), eV:	-8.68(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclohexylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CC1(COC1)CNC(=O)NCCN2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations