Geometry & MOs

Info

ID:	179046
PubChem CID:	76426901
Reduced:	O2N7C15H19 (1)
Stoich.:	A2B7C15D19 (1)
Weight, g/mol:	300.183778
ΔH_f, kcal/mol:	57.39
Dipole, Da:	4.11
IP(EA), eV:	-9.39(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2CNNN2)C3=NC(=NO3)C4=CN=CC=C4

DOS

IR

Vibrations