Geometry & MOs

Info

ID:	419824
PubChem CID:	135109194
Reduced:	N7O7C32H49 (1)
Stoich.:	A7B7C32D49 (1)
Weight, g/mol:	336.220164
ΔH_f, kcal/mol:	-316.78
Dipole, Da:	8.01
IP(EA), eV:	-9.44(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-4-methoxy-7-[(4-pyridin-3-ylphenyl)methyl]-7-azaspiro[4.5]decane

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)CN(C)C)CC3=CC=CC=C3)[C@@H](C)O

DOS

IR

Vibrations