Geometry & MOs

Info

ID:	419318
PubChem CID:	135107972
Reduced:	O5N7C32H47 (1)
Stoich.:	A5B7C32D47 (1)
Weight, g/mol:	339.231063
ΔH_f, kcal/mol:	-202.9
Dipole, Da:	4.35
IP(EA), eV:	-9.33(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C(C)C)C(=O)N2CCCNC(=O)[C@@H](NC(=O)CN(C(=O)[C@@H](NC(=O)[C@H]2C)C(C)C)C)CC3=CC=CC=C3

DOS

IR

Vibrations