Geometry & MOs

Info

ID:	419126
PubChem CID:	135107545
Reduced:	O3N5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	315.219829
ΔH_f, kcal/mol:	-36.64
Dipole, Da:	8.99
IP(EA), eV:	-9.27(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-3-(2-methylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NOC(=N2)CCCC(=O)N3C[C@H]([C@H](C3)O)CC4=NNC(=C4)C

DOS

IR

Vibrations