Geometry & MOs

Info

ID:	414426
PubChem CID:	135087384
Reduced:	NO4C20H27 (1)
Stoich.:	AB4C20D27 (1)
Weight, g/mol:	402.205576
ΔH_f, kcal/mol:	-129.24
Dipole, Da:	5.47
IP(EA), eV:	-8.81(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrrolidin-1-yl-[2-[[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)CC3=CC=C(C=C3)C#CCO)O

DOS

IR

Vibrations