Geometry & MOs

Info

ID:	199307
PubChem CID:	79228318
Reduced:	SN2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	291.165686
ΔH_f, kcal/mol:	104.13
Dipole, Da:	2.49
IP(EA), eV:	-8.35(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(2-phenylsulfanylethyl)oxan-4-yl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2CC3CC4=CC=CC=C4S3)N

DOS

IR

Vibrations