Geometry & MOs

Info

ID:	369466
PubChem CID:	127333450
Reduced:	ON2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	373.182398
ΔH_f, kcal/mol:	-73.81
Dipole, Da:	6.12
IP(EA), eV:	-8.91(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dioxo-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]thian-3-amine

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NCC1=CC=CC=C1)N2CCCC(C2)N3CCCC3

DOS

IR

Vibrations