Geometry & MOs

Info

ID:	280815
PubChem CID:	103851429
Reduced:	FN3C15H18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	273.129969
ΔH_f, kcal/mol:	2.5
Dipole, Da:	3.17
IP(EA), eV:	-9.07(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isothiochromen-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNC2CCC3=C2C=CC=C3F

DOS

IR

Vibrations