Geometry & MOs

Info

ID:	344162
PubChem CID:	127267338
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	290.13789
ΔH_f, kcal/mol:	-12.72
Dipole, Da:	6.55
IP(EA), eV:	-9.2(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC(=O)NC1CC1)C(=O)CC2=CC=C(C=C2)N3C=CN=C3

DOS

IR

Vibrations