Geometry & MOs

Info

ID:	247471
PubChem CID:	103071638
Reduced:	NC9H10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	232.096026
ΔH_f, kcal/mol:	59.35
Dipole, Da:	3.13
IP(EA), eV:	-8.11(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-nitroindazol-1-yl)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CCNCC(=C)CN1C2=CC=CC=C2C3=CC=CC=C31

DOS

IR

Vibrations