Geometry & MOs

Info

ID:	245097
PubChem CID:	99437464
Reduced:	O3N5C26H33 (1)
Stoich.:	A3B5C26D33 (1)
Weight, g/mol:	418.211724
ΔH_f, kcal/mol:	-102.52
Dipole, Da:	3.9
IP(EA), eV:	-8.65(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[[4-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N4CCC[C@@H](C4)C(=O)N)C(=O)N

DOS

IR

Vibrations