Geometry & MOs

Info

ID:	295631
PubChem CID:	117540169
Reduced:	BrSN2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	188.106196
ΔH_f, kcal/mol:	38.42
Dipole, Da:	3.03
IP(EA), eV:	-8.57(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-(pyridin-4-ylmethyl)-1H-imidazol-2-amine

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC)CCC2=CC(=CC=C2)Br

DOS

IR

Vibrations