Geometry & MOs

Info

ID:	147182
PubChem CID:	53786836
Reduced:	SN4O10H22C26 (1)
Stoich.:	AB4C10D22E26 (1)
Weight, g/mol:	179.142248
ΔH_f, kcal/mol:	-245.43
Dipole, Da:	8.32
IP(EA), eV:	-9.73(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-1-methylimidazol-4-amine

Drug info:

PubChemData

Smile

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)C4=COC5=C(C4=O)C=CC(=C5[N+](=O)[O-])O)C(=O)O)C

DOS

IR

Vibrations