Geometry & MOs

Info

ID:	236912
PubChem CID:	92715862
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	392.159689
ΔH_f, kcal/mol:	-84.25
Dipole, Da:	4.26
IP(EA), eV:	-9.35(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)C(=O)C2=NN(C(=O)N(C2=O)C)C3=CC=C(C=C3)C

DOS

IR

Vibrations