Geometry & MOs

Info

ID:	255795
PubChem CID:	103134781
Reduced:	N3C7H9 (2)
Stoich.:	A3B7C9 (2)
Weight, g/mol:	223.103085
ΔH_f, kcal/mol:	112.26
Dipole, Da:	2.91
IP(EA), eV:	-8.95(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-methyloxolan-2-yl)methylsulfanyl]aniline

Drug info:

PubChemData

Smile

CCCNC(C1=NN(C=C1)C)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations