Geometry & MOs

Info

ID:	421020
PubChem CID:	135115245
Reduced:	N6O7C29H44 (1)
Stoich.:	A6B7C29D44 (1)
Weight, g/mol:	287.224915
ΔH_f, kcal/mol:	-314.65
Dipole, Da:	2.67
IP(EA), eV:	-9.32(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)CCOC)C)CC2=CC=CC=C2

DOS

IR

Vibrations