Geometry & MOs

Info

ID:	414308
PubChem CID:	135087264
Reduced:	NO3C8H10 (2)
Stoich.:	AB3C8D10 (2)
Weight, g/mol:	330.166746
ΔH_f, kcal/mol:	-169.28
Dipole, Da:	5.05
IP(EA), eV:	-8.99(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethylpyrimidin-5-yl)-[4-(3,3,3-trifluoropropyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CN(CC(COC)O)C1=NOC(=C1C(=O)O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations