Geometry & MOs

Info

ID:	198933
PubChem CID:	79174405
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	224.106196
ΔH_f, kcal/mol:	-14.25
Dipole, Da:	1.64
IP(EA), eV:	-8.26(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-ethyl-6-phenylpyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CN1C2CCC1CN(CC2)C3=C(C=CC=N3)CO

DOS

IR

Vibrations