Geometry & MOs

Info

ID:	270238
PubChem CID:	103635586
Reduced:	O2F3N3C10H16 (1)
Stoich.:	A2B3C3D10E16 (1)
Weight, g/mol:	343.0354
ΔH_f, kcal/mol:	-213.47
Dipole, Da:	3.95
IP(EA), eV:	-9.41(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromothiophen-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CNCC(C(F)(F)F)O)OC)C

DOS

IR

Vibrations