Geometry & MOs

Info

ID:	418672
PubChem CID:	135106533
Reduced:	N7O7C33H47 (1)
Stoich.:	A7B7C33D47 (1)
Weight, g/mol:	327.20591
ΔH_f, kcal/mol:	-273.31
Dipole, Da:	7.67
IP(EA), eV:	-9.42(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2,5-dimethyl-1,2,4-triazol-3-yl)piperidin-4-yl]-N-phenylpropanamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)CCC2=C(ON=C2C)C)C)CC3=CC=CC=C3

DOS

IR

Vibrations