Geometry & MOs

Info

ID:	238609
PubChem CID:	92763395
Reduced:	S2N3O4H11C15 (1)
Stoich.:	A2B3C4D11E15 (1)
Weight, g/mol:	167.142248
ΔH_f, kcal/mol:	-4.65
Dipole, Da:	6.25
IP(EA), eV:	-9.19(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

DOS

IR

Vibrations