Geometry & MOs

Info

ID:	299198
PubChem CID:	117677878
Reduced:	SO4N5C24H29 (1)
Stoich.:	AB4C5D24E29 (1)
Weight, g/mol:	234.091689
ΔH_f, kcal/mol:	-128.55
Dipole, Da:	5.56
IP(EA), eV:	-8.56(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-amino-N-[4-(2-fluorophenyl)-2-methylimidazol-1-yl]formamide

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H](C[C@H]([C@@H]2O1)NC\3=NC(=NC(=O)/C3=C\4/NC5=CC=CC=C5S4)NC6CCC6)CO)C

DOS

IR

Vibrations