Geometry & MOs

Info

ID:	368014
PubChem CID:	127326501
Reduced:	O3N4C21H34 (1)
Stoich.:	A3B4C21D34 (1)
Weight, g/mol:	316.226312
ΔH_f, kcal/mol:	-119.88
Dipole, Da:	4.33
IP(EA), eV:	-9.38(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)C2CCN(CC2)C(=O)NC(C)CCC3CCCCC3

DOS

IR

Vibrations