Geometry & MOs

Info

ID:	420081
PubChem CID:	135111049
Reduced:	N2O3C22H32 (1)
Stoich.:	A2B3C22D32 (1)
Weight, g/mol:	398.256943
ΔH_f, kcal/mol:	-159.95
Dipole, Da:	5.6
IP(EA), eV:	-8.74(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)(C)C)C(=O)N2CCC[C@]3(C2)CCC[C@H]3O

DOS

IR

Vibrations