Geometry & MOs

Info

ID:	289248
PubChem CID:	104341650
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	279.169525
ΔH_f, kcal/mol:	15.77
Dipole, Da:	5.3
IP(EA), eV:	-9.07(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CNC2=NC(=NC(=C2)NC)COC

DOS

IR

Vibrations