Geometry & MOs

Info

ID:	305162
PubChem CID:	124766829
Reduced:	NO2H15C17 (2)
Stoich.:	AB2C15D17 (2)
Weight, g/mol:	357.143704
ΔH_f, kcal/mol:	-59.44
Dipole, Da:	0.92
IP(EA), eV:	-9.05(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S,3S,5S,6S)-4,4-dimethyl-3,5-dinitro-6-pyridin-3-ylpiperidin-2-yl]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)C4(C=CC3[C@@H]5[C@H]4C(=O)N(C5=O)C6=C(C=C(C=C6)C)C)C7=CC=CC=C7)C

DOS

IR

Vibrations