Geometry & MOs

Info

ID:	416984
PubChem CID:	135090956
Reduced:	Cl2O2N5C22H25 (1)
Stoich.:	A2B2C5D22E25 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-32.65
Dipole, Da:	6.44
IP(EA), eV:	-8.83(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCN(C)C)C(=O)C2=CC=CN(C2=O)CC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations