Geometry & MOs

Info

ID:	415164
PubChem CID:	135088155
Reduced:	ClO2N7C14H16 (1)
Stoich.:	AB2C7D14E16 (1)
Weight, g/mol:	334.200491
ΔH_f, kcal/mol:	25.91
Dipole, Da:	9.26
IP(EA), eV:	-9.94(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2,6-dimethylpyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=NC=C(C=C2)Cl)C(=O)CN3C=NN=N3

DOS

IR

Vibrations