Geometry & MOs

Info

ID:	289680
PubChem CID:	104366553
Reduced:	NSO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	251.134385
ΔH_f, kcal/mol:	-57.02
Dipole, Da:	2.7
IP(EA), eV:	-8.32(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-propan-2-ylazepan-1-yl)thiophene-2-carbaldehyde

Drug info:

PubChemData

Smile

CCC1COC(CN1C2=CSC(=C2)C=O)C

DOS

IR

Vibrations