Geometry & MOs

Info

ID:	252260
PubChem CID:	103110130
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	250.215747
ΔH_f, kcal/mol:	-57.37
Dipole, Da:	4.93
IP(EA), eV:	-8.38(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-ethyl-1-N-methyl-2-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)propane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC(=O)CC2=CC=CC=C2O

DOS

IR

Vibrations