Geometry & MOs

Info

ID:	208085
PubChem CID:	80493575
Reduced:	SN2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	41.73
Dipole, Da:	1.0
IP(EA), eV:	-8.91(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-3-(oxetan-3-ylamino)phenyl]propanamide

Drug info:

PubChemData

Smile

CCNC(CC1=CC=CC(=C1)C)C2=CSC=N2

DOS

IR

Vibrations