Geometry & MOs

Info

ID:	344167
PubChem CID:	127267343
Reduced:	O3N4H14C16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	304.153541
ΔH_f, kcal/mol:	-60.24
Dipole, Da:	7.14
IP(EA), eV:	-9.01(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methylazepan-1-yl)-3-oxopropyl]-2,4-dioxopyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)C(=O)CCN3C=C(C(=O)NC3=O)C#N

DOS

IR

Vibrations