Geometry & MOs

Info

ID:	399597
PubChem CID:	135041190
Reduced:	NO3H11C13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	271.204848
ΔH_f, kcal/mol:	-41.76
Dipole, Da:	2.01
IP(EA), eV:	-9.75(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-methylphenyl)methyl]-N,1-di(propan-2-yl)imidazol-2-amine

Drug info:

PubChemData

Smile

C#CC(=O)N1[C@H](COC1=O)CC2=CC=CC=C2

DOS

IR

Vibrations