Geometry & MOs

Info

ID:	233430
PubChem CID:	90271510
Reduced:	SN2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	156.126263
ΔH_f, kcal/mol:	65.14
Dipole, Da:	3.15
IP(EA), eV:	-9.02(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(azepan-1-yl)acetaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CSC=C2CC(=N)N

DOS

IR

Vibrations