Geometry & MOs

Info

ID:	170317
PubChem CID:	75216462
Reduced:	N3O5C22H31 (1)
Stoich.:	A3B5C22D31 (1)
Weight, g/mol:	440.242356
ΔH_f, kcal/mol:	-176.33
Dipole, Da:	8.55
IP(EA), eV:	-9.32(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,5-diethyl-6-oxo-5H-pyrimidin-2-yl)-N-(2-oxoazepan-3-yl)-4-propoxybenzamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C(=O)N(CCO)CCO)C2=NC(=O)C(C(=N2)CC)CC

DOS

IR

Vibrations