Geometry & MOs

Info

ID:	423852
PubChem CID:	135120499
Reduced:	O2N5C23H33 (1)
Stoich.:	A2B5C23D33 (1)
Weight, g/mol:	416.221226
ΔH_f, kcal/mol:	-59.93
Dipole, Da:	5.52
IP(EA), eV:	-8.95(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)N(CCN(C)C)CC3=C(NC=N3)C

DOS

IR

Vibrations