Geometry & MOs

Info

ID:	299783
PubChem CID:	117689413
Reduced:	O2N5C16H18 (1)
Stoich.:	A2B5C16D18 (1)
Weight, g/mol:	228.101111
ΔH_f, kcal/mol:	77.23
Dipole, Da:	3.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.867765
Charge, e:	0

Chem-info

IUPAC name:

[4-(3H-benzimidazol-5-yl)-5-methyl-1,2-oxazol-3-yl]methanamine

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=NC(=CC=C2)C(C3=NN([NH+]=C3)C4CC4)O

DOS

IR

Vibrations