Geometry & MOs

Info

ID:	419380
PubChem CID:	135108062
Reduced:	N7O7C36H47 (1)
Stoich.:	A7B7C36D47 (1)
Weight, g/mol:	371.17644
ΔH_f, kcal/mol:	-295.42
Dipole, Da:	3.49
IP(EA), eV:	-9.5(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)CC[C@H]4C(=O)NC(=O)N4

DOS

IR

Vibrations