Geometry & MOs

Info

ID:	280889
PubChem CID:	103851781
Reduced:	S2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	247.179696
ΔH_f, kcal/mol:	94.85
Dipole, Da:	3.18
IP(EA), eV:	-9.03(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNC(C2=CC=CS2)C3=CC=CS3

DOS

IR

Vibrations