Geometry & MOs

Info

ID:	253324
PubChem CID:	103117711
Reduced:	N5C15H23 (1)
Stoich.:	A5B15C23 (1)
Weight, g/mol:	168.137497
ΔH_f, kcal/mol:	60.64
Dipole, Da:	2.96
IP(EA), eV:	-8.75(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)CCCNCC2=C3C=NC=CN3N=C2

DOS

IR

Vibrations