Geometry & MOs

Info

ID:	134050
PubChem CID:	51633273
Reduced:	O2N5C23H39 (1)
Stoich.:	A2B5C23D39 (1)
Weight, g/mol:	416.30255
ΔH_f, kcal/mol:	-82.72
Dipole, Da:	5.94
IP(EA), eV:	-8.49(0.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-methyl-2-morpholin-4-ylpropyl)-[(5S)-1-prop-2-enyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium

Drug info:

PubChemData

Smile

CCN1C2=C(C[C@H](CC2)NCC(C)(C)N3CCOCC3)C(=N1)C(=O)N4CCCCC4

DOS

IR

Vibrations