Geometry & MOs

Info

ID:	208559
PubChem CID:	80544511
Reduced:	ClN3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	200.152478
ΔH_f, kcal/mol:	18.53
Dipole, Da:	4.87
IP(EA), eV:	-8.57(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[(3-hydroxycyclobutyl)methyl]-2-methylbutanamide

Drug info:

PubChemData

Smile

CC1=C(N=C(N1)C(C)CCN)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations