Geometry & MOs

Info

ID:	416373
PubChem CID:	135089386
Reduced:	N5O7C32H41 (1)
Stoich.:	A5B7C32D41 (1)
Weight, g/mol:	381.241627
ΔH_f, kcal/mol:	-263.24
Dipole, Da:	6.22
IP(EA), eV:	-9.09(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[4-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4)C(C)C

DOS

IR

Vibrations