Geometry & MOs

Info

ID:	149111
PubChem CID:	53788783
Reduced:	O2N4H18C23 (1)
Stoich.:	A2B4C18D23 (1)
Weight, g/mol:	301.215413
ΔH_f, kcal/mol:	52.87
Dipole, Da:	4.78
IP(EA), eV:	-9.56(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-amino-4'-(aminomethyl)spiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=NC(=C(C(C1C#N)C2=C3C=C(C=NC3=NC=C2)C4=CC=CC=C4)C(=O)O)C

DOS

IR

Vibrations