Geometry & MOs

Info

ID:	263682
PubChem CID:	103388997
Reduced:	N3O3C15H29 (1)
Stoich.:	A3B3C15D29 (1)
Weight, g/mol:	196.168797
ΔH_f, kcal/mol:	-190.58
Dipole, Da:	2.33
IP(EA), eV:	-9.02(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propane-1,2-diamine

Drug info:

PubChemData

Smile

CC(CNC(=O)OC(C)(C)C)NC1CCC(CC1)C(=O)N

DOS

IR

Vibrations