Geometry & MOs

Info

ID:	247567
PubChem CID:	103072259
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	215.142248
ΔH_f, kcal/mol:	-31.6
Dipole, Da:	7.7
IP(EA), eV:	-9.13(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-(indazol-1-ylmethyl)prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)NCC(=C)CN1C=CC=C(C1=O)[N+](=O)[O-]

DOS

IR

Vibrations