Geometry & MOs

Info

ID:	346045
PubChem CID:	127270533
Reduced:	O2N3C20H29 (1)
Stoich.:	A2B3C20D29 (1)
Weight, g/mol:	376.258674
ΔH_f, kcal/mol:	-82.57
Dipole, Da:	1.44
IP(EA), eV:	-9.49(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NCCNC(=O)N2CCC2C3=CC=CC=C3

DOS

IR

Vibrations