Geometry & MOs

Info

ID:	423556
PubChem CID:	135119733
Reduced:	N2O3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	399.215806
ΔH_f, kcal/mol:	-120.85
Dipole, Da:	2.35
IP(EA), eV:	-8.84(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-9-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)C(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC=C3)O)C(C)C

DOS

IR

Vibrations