Geometry & MOs

Info

ID:	171396
PubChem CID:	75371803
Reduced:	N7C18H35 (1)
Stoich.:	A7B18C35 (1)
Weight, g/mol:	296.080633
ΔH_f, kcal/mol:	51.06
Dipole, Da:	4.13
IP(EA), eV:	-8.29(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-3-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanyl]propanoate

Drug info:

PubChemData

Smile

CC(C)C(CNC(=NC)N(C)CC1=CN(N=C1)C)N2CCN(CC2)C

DOS

IR

Vibrations