Geometry & MOs

Info

ID:	423195
PubChem CID:	135119075
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	315.180758
ΔH_f, kcal/mol:	-47.18
Dipole, Da:	6.19
IP(EA), eV:	-9.01(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-N-ethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)CN(C)CC2=CC=CC=C2

DOS

IR

Vibrations