Geometry & MOs

Info

ID:	203759
PubChem CID:	79866778
Reduced:	BrON3C15H26 (1)
Stoich.:	ABC3D15E26 (1)
Weight, g/mol:	266.210661
ΔH_f, kcal/mol:	-47.95
Dipole, Da:	5.42
IP(EA), eV:	-9.04(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-5,5-dimethyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-ol

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)Br)CC2(CCC(C2O)(C)C)CN

DOS

IR

Vibrations