Geometry & MOs

Info

ID:	368454
PubChem CID:	127328739
Reduced:	O3N4C20H32 (1)
Stoich.:	A3B4C20D32 (1)
Weight, g/mol:	373.284161
ΔH_f, kcal/mol:	-104.0
Dipole, Da:	4.86
IP(EA), eV:	-8.71(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN(C)CC1CN(CCO1)C(=O)NCC2=CC=C(C=C2)CN3CCOCC3

DOS

IR

Vibrations