Geometry & MOs

Info

ID:	417053
PubChem CID:	135091231
Reduced:	N5C22H23 (1)
Stoich.:	A5B22C23 (1)
Weight, g/mol:	337.171165
ΔH_f, kcal/mol:	99.52
Dipole, Da:	2.66
IP(EA), eV:	-8.65(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations