Geometry & MOs

Info

ID:	124558
PubChem CID:	50887238
Reduced:	N3O4C24H25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	413.210327
ΔH_f, kcal/mol:	19.05
Dipole, Da:	7.89
IP(EA), eV:	-8.42(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC)[N+](=O)[O-])/C=N/N(CC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations