Geometry & MOs

Info

ID:	172585
PubChem CID:	75527425
Reduced:	ClSO2N4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	222.173213
ΔH_f, kcal/mol:	13.7
Dipole, Da:	5.13
IP(EA), eV:	-8.71(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NNC(=C2)C3=CC=CS3)C(=O)COC4=CC=C(C=C4)Cl

DOS

IR

Vibrations