Geometry & MOs

Info

ID:	342424
PubChem CID:	127265266
Reduced:	BrSN4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	233.132826
ΔH_f, kcal/mol:	93.66
Dipole, Da:	5.77
IP(EA), eV:	-8.98(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-3-methylphenyl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CC(C)(C)N1C=C(N=N1)C=CC2=NC=C(S2)Br

DOS

IR

Vibrations