Geometry & MOs

Info

ID:	245098
PubChem CID:	99437468
Reduced:	O2N6C23H26 (1)
Stoich.:	A2B6C23D26 (1)
Weight, g/mol:	435.263425
ΔH_f, kcal/mol:	5.85
Dipole, Da:	4.45
IP(EA), eV:	-8.42(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(3S)-3-carbamoylpiperidin-1-yl]methyl]phenyl]-2-[(2R)-2-methylpiperidin-1-yl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)CN4CCC[C@H](C4)C(=O)N

DOS

IR

Vibrations