Geometry & MOs

Info

ID:	423304
PubChem CID:	135119258
Reduced:	ClO2N5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	426.215472
ΔH_f, kcal/mol:	-35.63
Dipole, Da:	4.74
IP(EA), eV:	-8.91(-0.61)
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]-4-(4-methoxyphenoxy)benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)N

DOS

IR

Vibrations