Geometry & MOs

Info

ID:	350035
PubChem CID:	127276908
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	370.236876
ΔH_f, kcal/mol:	-97.89
Dipole, Da:	1.76
IP(EA), eV:	-9.18(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-methoxyphenyl)methyl-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CN1C(=O)C2(CCN(C2)CC3CCCC3)NC1=O

DOS

IR

Vibrations