Geometry & MOs

Info

ID:	290001
PubChem CID:	104397025
Reduced:	N2F4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	224.200097
ΔH_f, kcal/mol:	-209.68
Dipole, Da:	5.65
IP(EA), eV:	-8.91(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(2-methylpropyl)-2-N-[(2-methylpyrazol-3-yl)methyl]propane-1,2-diamine

Drug info:

PubChemData

Smile

CC(CNC(C)(C)C)NCC1=C(C(=CC=C1)C(F)(F)F)F

DOS

IR

Vibrations