Geometry & MOs

Info

ID:	286849
PubChem CID:	104223205
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	271.070539
ΔH_f, kcal/mol:	22.51
Dipole, Da:	4.26
IP(EA), eV:	-8.27(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(aminomethyl)pyrimidin-2-yl]oxy-3-nitrobenzonitrile

Drug info:

PubChemData

Smile

CC(C)NCC1=CN=C(N=C1)OC2=CC=CC(=C2)N(C)C

DOS

IR

Vibrations