Geometry & MOs

Info

ID:	417831
PubChem CID:	135102889
Reduced:	O7N9C36H47 (1)
Stoich.:	A7B9C36D47 (1)
Weight, g/mol:	301.240565
ΔH_f, kcal/mol:	-218.05
Dipole, Da:	5.38
IP(EA), eV:	-9.36(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-[[4-(2-methylpropyl)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)CN3N=C4C=CC=CC4=N3)CC5=CC=CC=C5)[C@@H](C)O

DOS

IR

Vibrations