Geometry & MOs

Info

ID:	22601
PubChem CID:	597964
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	74.69
Dipole, Da:	5.49
IP(EA), eV:	-9.89(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butylimino-(2-methyl-6-phenylpyrimidin-4-yl)-oxidoazanium

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)[N+](=NC(C)(C)C)[O-])C2=CC=CC=C2

DOS

IR

Vibrations