Geometry & MOs

Info

ID:	230384
PubChem CID:	87570758
Reduced:	ClSO2N3C25H26 (1)
Stoich.:	ABC2D3E25F26 (1)
Weight, g/mol:	192.126263
ΔH_f, kcal/mol:	-30.7
Dipole, Da:	4.59
IP(EA), eV:	-8.36(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylpyrrol-2-yl)piperidine-1-carbaldehyde

Drug info:

PubChemData

Smile

CC1(CC2=C(C(=O)C1)SC(=C2C3=CC(=C(C=C3)N)C4=NC(=CC=C4)Cl)N5CCOCC5)C

DOS

IR

Vibrations