Geometry & MOs

Info

ID:	255806
PubChem CID:	103134829
Reduced:	BrN3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	223.103085
ΔH_f, kcal/mol:	58.64
Dipole, Da:	4.89
IP(EA), eV:	-9.16(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-methyloxolan-2-yl)methylsulfanyl]aniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=NN(C=C2)C)N)Br

DOS

IR

Vibrations