Geometry & MOs

Info

ID:	422521
PubChem CID:	135117976
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-40.38
Dipole, Da:	5.55
IP(EA), eV:	-9.11(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)[C@H]2COC[C@@H]2NC(=O)CCCC3=NC(=NO3)C4=CC=NC=C4

DOS

IR

Vibrations