Geometry & MOs

Info

ID:	418469
PubChem CID:	135105027
Reduced:	O4N7C30H35 (1)
Stoich.:	A4B7C30D35 (1)
Weight, g/mol:	340.215078
ΔH_f, kcal/mol:	-75.84
Dipole, Da:	7.37
IP(EA), eV:	-8.7(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-7-methylquinolin-3-yl]methanol

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCN(CC2=CN(CCCOC3=C(C=CC(=C3)C)C(=O)N1)N=N2)C(=O)CC4=CNC5=CC=CC=C54

DOS

IR

Vibrations