Geometry & MOs

Info

ID:	126495
PubChem CID:	50966336
Reduced:	NSO3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	338.199428
ΔH_f, kcal/mol:	-78.81
Dipole, Da:	3.59
IP(EA), eV:	-8.79(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-[(4-methylanilino)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC=C(C2=O)CN3CC[C@H]([C@@H](C3)O)C4=C(C=CS4)C

DOS

IR

Vibrations